2-arylethylamines

Chlorhydrate de dopamine, 99 %, Thermo Scientific Chemicals

Chlorhydrate de dopamine, 99 %, Thermo Scientific Chemicals

CAS: 62-31-7 Formule moléculaire: C8H12ClNO2 Poids moléculaire (g/mol): 189.64 Numéro MDL: MFCD00012898 Clé InChI: CTENFNNZBMHDDG-UHFFFAOYSA-N Synonyme: cardiosteril, 3,4-dihydroxyphenethylamine hydrochloride, dynatra, revivan, dopastat, intropin, 4-2-aminoethyl benzene-1,2-diol hydrochloride, dopamine hcl, 3-hydroxytyramine hydrochloride, dopamine hydrochloride CID PubChem: 65340 Nom IUPAC: 4-(2-aminoéthyl) benzène-1,2-diol; chlorhydrate SMILES: [H+].[Cl-].NCCC1=CC=C(O)C(O)=C1

Chlorhydrate d’histamine, 99 %, Thermo Scientific Chemicals

Chlorhydrate d’histamine, 99 %, Thermo Scientific Chemicals

CAS: 56-92-8 Formule moléculaire: C5H11Cl2N3 Poids moléculaire (g/mol): 184.06 Numéro MDL: MFCD00012703 Clé InChI: PPZMYIBUHIPZOS-UHFFFAOYSA-N Synonyme: histaminedium dichloride, 2-4-imidazolyl ethylamine dihydrochloride, 2-1h-imidazol-4-yl ethylamine dihydrochloride, ceplene, peremin, 1h-imidazole-4-ethanamine, dihydrochloride, 1h-imidazole-4-ethanamine dihydrochloride, 2-1h-imidazol-4-yl ethanamine dihydrochloride, histamine 2hcl, histamine dihydrochloride CID PubChem: 5818 Nom IUPAC: 2-(1H-imidazol-5-yl) éthanamine;dichlorhydrate SMILES: [H+].[H+].[Cl-].[Cl-].NCCC1=CN=CN1

Hydrochlorure de 3-hydroxytyramine, 99 %, Thermo Scientific Chemicals

Hydrochlorure de 3-hydroxytyramine, 99 %, Thermo Scientific Chemicals

CAS: 62-31-7 Formule moléculaire: C8H12ClNO2 Poids moléculaire (g/mol): 189.64 Numéro MDL: MFCD00012898 Clé InChI: CTENFNNZBMHDDG-UHFFFAOYSA-N Synonyme: cardiosteril, 3,4-dihydroxyphenethylamine hydrochloride, dynatra, revivan, dopastat, intropin, 4-2-aminoethyl benzene-1,2-diol hydrochloride, dopamine hcl, 3-hydroxytyramine hydrochloride, dopamine hydrochloride CID PubChem: 65340 Nom IUPAC: 4-(2-aminoéthyl) benzène-1,2-diol; chlorhydrate SMILES: [H+].[Cl-].NCCC1=CC=C(O)C(O)=C1

Histamine, 97 %, Thermo Scientific Chemicals

Histamine, 97 %, Thermo Scientific Chemicals

CAS: 51-45-6 Formule moléculaire: C5H9N3 Poids moléculaire (g/mol): 111.15 Numéro MDL: MFCD00005210,MFCD00128939 Clé InChI: NTYJJOPFIAHURM-UHFFFAOYSA-N Synonyme: free histamine, theramine, 5-imidazoleethylamine, eramin, ergamine, 2-1h-imidazol-5-yl ethanamine, ergotidine, 2-4-imidazolyl ethylamine, 1h-imidazole-4-ethanamine, histamine CID PubChem: 774 ChEBI: CHEBI:18295 Nom IUPAC: 2-(1H-imidazol-5-yl)ethan-1-amine SMILES: NCCC1=CN=CN1

2-(2-aminoéthyl)pyridine, 95 %, Thermo Scientific Chemicals

2-(2-aminoéthyl)pyridine, 95 %, Thermo Scientific Chemicals

CAS: 2706-56-1 Formule moléculaire: C7H10N2 Poids moléculaire (g/mol): 122.17 Numéro MDL: MFCD00006367 Clé InChI: XPQIPUZPSLAZDV-UHFFFAOYSA-N Synonyme: 2-aminoethylpyridine, pyridine, 2-2-aminoethyl, alpha-pyridylethylamine, 2-pyridin-2-yl ethan-1-amine, demethylbetahistine, 2-pyridineethanamine, 2-pyridin-2-yl ethanamine, 2-2-pyridyl ethylamine, 2-pyridylethylamine, 2-2-aminoethyl pyridine CID PubChem: 75919 ChEBI: CHEBI:74024 Nom IUPAC: 2-pyridine-2-yléthanamine SMILES: NCCC1=CC=CC=N1

2-Thiophénéthylamine, 98 %, Thermo Scientific Chemicals

2-Thiophénéthylamine, 98 %, Thermo Scientific Chemicals

CAS: 30433-91-1 Formule moléculaire: C6H9NS Poids moléculaire (g/mol): 127.205 Numéro MDL: MFCD00051495 Clé InChI: HVLUYXIJZLDNIS-UHFFFAOYSA-N Synonyme: 2-2-aminoethyl thiophene, 2-thiophen-2-yl ethan-1-amine, thiopheneethylamine, 2-thiopheneethanamine, 2-thien-2-ylethanamine, 2-2-thienyl ethylamine, thiopheneethanamine, 2-thiophen-2-yl ethanamine, 2-thiopheneethylamine, thiophene-2-ethylamine CID PubChem: 116521 Nom IUPAC: 2-thiophène-2-ylethanamine SMILES: C1=CSC(=C1)CCN

2-(2-Aminoéthyl)pyridine, 98 %, Thermo Scientific Chemicals

2-(2-Aminoéthyl)pyridine, 98 %, Thermo Scientific Chemicals

CAS: 2706-56-1 Formule moléculaire: C7H10N2 Poids moléculaire (g/mol): 122.17 Numéro MDL: MFCD00006367 Clé InChI: XPQIPUZPSLAZDV-UHFFFAOYSA-N Synonyme: 2-aminoethylpyridine, pyridine, 2-2-aminoethyl, alpha-pyridylethylamine, 2-pyridin-2-yl ethan-1-amine, demethylbetahistine, 2-pyridineethanamine, 2-pyridin-2-yl ethanamine, 2-2-pyridyl ethylamine, 2-pyridylethylamine, 2-2-aminoethyl pyridine CID PubChem: 75919 ChEBI: CHEBI:74024 SMILES: NCCC1=CC=CC=N1

Tyramine, 97 %, Thermo Scientific Chemicals

Tyramine, 97 %, Thermo Scientific Chemicals

CAS: 51-67-2 Formule moléculaire: C8H11NO Poids moléculaire (g/mol): 137.18 Numéro MDL: MFCD00008193 Clé InChI: DZGWFCGJZKJUFP-UHFFFAOYSA-N Synonyme: 4-hydroxyphenylethylamine, tocosine, tyrosamine, tyramin, uteramine, 2-4-hydroxyphenyl ethylamine, p-tyramine, 4-hydroxyphenethylamine, 4-2-aminoethyl phenol, tyramine CID PubChem: 5610 ChEBI: CHEBI:15760 Nom IUPAC: 4-(2-aminoéthyl)phénol SMILES: C1=CC(=CC=C1CCN)O

2-(-Aminophényl)éthylamine4-aminophényl)éthylamine, 95 %, Thermo Scientific Chemicals

2-(-Aminophényl)éthylamine4-aminophényl)éthylamine, 95 %, Thermo Scientific Chemicals

CAS: 13472-00-9 Formule moléculaire: C8H12N2 Poids moléculaire (g/mol): 136.2 Numéro MDL: MFCD00008194 Clé InChI: LNPMZQXEPNWCMG-UHFFFAOYSA-N Synonyme: 4-2-amino-ethyl-aniline, 4-2-aminoethyl phenylamine, 4-aminophenylethylamine, 4-2-aminoethyl benzenamine, benzeneethanamine, 4-amino, p-aminophenethylamine, 4-2-amino-ethyl-phenylamine, 4-aminophenethylamine, 4-2-aminoethyl aniline, 2-4-aminophenyl ethylamine CID PubChem: 72895 Nom IUPAC: 4-(2-aminoéthyl) aniline SMILES: C1=CC(=CC=C1CCN)N

Diphosphate d’histamine, 99+ %, Thermo Scientific Chemicals

Diphosphate d’histamine, 99+ %, Thermo Scientific Chemicals

CAS: 51-74-1 Formule moléculaire: C5H15N3O8P2 Poids moléculaire (g/mol): 307.14 Numéro MDL: MFCD00064316 Clé InChI: ZHIBQGJKHVBLJJ-UHFFFAOYSA-N Synonyme: 4-2-aminoethyl imidazole bis dihydrogen phosphate, histamine positive, histamine phosphate usp, 1h-imidazole-4-ethanamine, phosphate 1:2, histamine phosphate, histamine phosphate 1:2, histamine dihydrogen phosphate, histamine biphosphate, 2-1h-imidazol-4-yl ethanamine bis phosphate, histamine acid phosphate CID PubChem: 65513 ChEBI: CHEBI:51193 SMILES: OP(O)(O)=O.OP(O)(O)=O.NCCC1=CN=CN1

2-(2-Méthyl-1,3-thiazol-4-yl)éthylamine, 97 %, Thermo Scientific™

2-(2-Méthyl-1,3-thiazol-4-yl)éthylamine, 97 %, Thermo Scientific™

CAS: 165115-15-1 Formule moléculaire: C6H10N2S Poids moléculaire (g/mol): 142.22 Numéro MDL: MFCD03011601 Clé InChI: GLEZGSKBHYTSAD-UHFFFAOYSA-N Synonyme: 2-2-methyl-1,3-thiazol-4-yl-1-ethanamine, 4-thiazoleethanamine,2-methyl, 2-2-methyl-1,3-thiazol-4-yl ethan-1-amine, 4-thiazoleethanamine, 2-methyl, 2-2-methyl-1,3-thiazol-4-yl ethylamine, 2-2-methylthiazol-4-yl ethanamine, 2-2-methyl-1,3-thiazol-4-yl ethanamine CID PubChem: 7536518 Nom IUPAC: 2-(2-méthyl-1,3-thiazol-4-yl)éthanamine SMILES: CC1=NC(CCN)=CS1

Stéarate de lithium, Thermo Scientific Chemicals

Stéarate de lithium, Thermo Scientific Chemicals

CAS: 4485-12-5 Numéro MDL: MFCD00042032

Chlorhydrate de 2-(4-Nitrophényl)éthylamine, ≥98 %, Thermo Scientific Chemicals

Chlorhydrate de 2-(4-Nitrophényl)éthylamine, ≥98 %, Thermo Scientific Chemicals

CAS: 29968-78-3 Formule moléculaire: C8H11N2O2 Poids moléculaire (g/mol): 167.19 Numéro MDL: MFCD00012900 Clé InChI: IOXOZOPLBFXYLM-UHFFFAOYSA-O Synonyme: pubchem11627, p-nitrophenethylamine, hydrochloride, 4-nitrophenethylaminehydrochloride, benzeneethanamine, 4-nitro-, monohydrochloride, p-nitrophenylethylamine hcl, 2-4-nitrophenyl ethylamine hydrochloride, 2-4-nitrophenyl ethanamine hydrochloride, 4-nitrophenethylamine hcl, 4-nitrophenylethylamine hydrochloride, 4-nitrophenethylamine hydrochloride CID PubChem: 458983 Nom IUPAC: 2-(4-nitrophényl) éthanamine ; chlorhydrate SMILES: [NH3+]CCC1=CC=C(C=C1)[N+]([O-])=O

Histamine, Thermo Scientific Chemicals

Histamine, Thermo Scientific Chemicals

CAS: 51-45-6 Formule moléculaire: C5H9N3 Poids moléculaire (g/mol): 111.15 Numéro MDL: MFCD00005210,MFCD00128939 Clé InChI: NTYJJOPFIAHURM-UHFFFAOYSA-N Synonyme: free histamine, theramine, 5-imidazoleethylamine, eramin, ergamine, 2-1h-imidazol-5-yl ethanamine, ergotidine, 2-4-imidazolyl ethylamine, 1h-imidazole-4-ethanamine, histamine CID PubChem: 774 ChEBI: CHEBI:18295 SMILES: NCCC1=CN=CN1

3-(2-Aminoéthyl)pyridine, 98 %, Thermo Scientific Chemicals

3-(2-Aminoéthyl)pyridine, 98 %, Thermo Scientific Chemicals

CAS: 20173-24-4 Formule moléculaire: C7H11N2 Poids moléculaire (g/mol): 123.18 Numéro MDL: MFCD00191604 Clé InChI: NAHHNSMHYCLMON-UHFFFAOYSA-O Synonyme: 2-3-pyridinyl ethanamine, 2-pyridin-3-yl-ethylamine, 3-pyridine ethanamine, 3-pyridineethaneamine, 2-3-pyridyl ethylamine, 2-pyridin-3-yl ethan-1-amine, 3-pyridineethanamine, 3-aminoethylpyridine, 2-pyridin-3-yl ethanamine, 3-2-aminoethyl pyridine CID PubChem: 854051 SMILES: [NH3+]CCC1=CC=CN=C1

4-(2-Aminoéthyl)pyridine, 97 %, Thermo Scientific Chemicals

4-(2-Aminoéthyl)pyridine, 97 %, Thermo Scientific Chemicals

CAS: 13258-63-4 Formule moléculaire: C7H10N2 Poids moléculaire (g/mol): 122.17 Numéro MDL: MFCD00038045 Clé InChI: IDLHTECVNDEOIY-UHFFFAOYSA-N Synonyme: 2-4-pyridinyl ethanamine, 4-pyridine ethaneamine, 2-pyridin-4-ylethyl amine, 2-4-pyridinyl ethylamine, 2-pyridin-4-yl ethanamine, 2-pyridin-4-yl ethan-1-amine, 2-pyridin-4-yl-ethylamine, 2-4-pyridyl ethylamine, 4-pyridineethanamine, 4-2-aminoethyl pyridine CID PubChem: 83275 Nom IUPAC: 2-pyridine-4-yléthanamine SMILES: NCCC1=CC=NC=C1

2-(3-Méthoxyphényl)éthylamine, ≥97 %, Thermo Scientific Chemicals

2-(3-Méthoxyphényl)éthylamine, ≥97 %, Thermo Scientific Chemicals

CAS: 2039-67-0 Formule moléculaire: C9H13NO Poids moléculaire (g/mol): 151.209 Numéro MDL: MFCD00008187 Clé InChI: WJBMRZAHTUFBGE-UHFFFAOYSA-N Synonyme: 2-3-methoxy-phenyl-ethylamine, phenethylamine, m-methoxy, benzeneethanamine, 3-methoxy, 2-3-methoxyphenyl ethan-1-amine, m-methoxyphenylethylamine, m-methoxyphenethylamine, 2-3-methoxyphenyl ethylamine, 2-3-methoxyphenyl ethanamine, 3-methoxyphenylethylamine, 3-methoxyphenethylamine CID PubChem: 74866 Nom IUPAC: 2-(3-méthoxyphényl)éthanamine SMILES: COC1=CC=CC(=C1)CCN

2-(3,5-Diméthyl-1H-pyrazol-1-yl)éthylamine, 97 %, Thermo Scientific Chemicals

2-(3,5-Diméthyl-1H-pyrazol-1-yl)éthylamine, 97 %, Thermo Scientific Chemicals

CAS: 62821-88-9 Formule moléculaire: C7H13N3 Poids moléculaire (g/mol): 139.20 Numéro MDL: MFCD04967722 Clé InChI: FXLOXQBWUPCCDL-UHFFFAOYSA-N Synonyme: 2-3,5-dimethyl-1-pyrazolyl ethanamine, acmc-209v2h, 2-3,5-dimethylpyrazolyl ethylamine, 1-2-aminoethyl-3,5-dimethylpyrazole, 2-3,5-dimethyl-1h-pyrazol-1-yl ethylamine, 2-3,5-dimethylpyrazol-1-yl ethylamine, 2-3,5-dimethylpyrazol-1-yl ethanamine, 2-3,5-dimethyl-1h-pyrazol-1-yl ethan-1-amine, 2-3,5-dimethyl-pyrazol-1-yl-ethylamine, 2-3,5-dimethyl-1h-pyrazol-1-yl ethanamine CID PubChem: 1091687 SMILES: CC1=NN(CCN)C(C)=C1

Tyramine, 98+ % Thermo Scientific Chemicals

Tyramine, 98+ % Thermo Scientific Chemicals

CAS: 51-67-2 Formule moléculaire: C8H11NO Poids moléculaire (g/mol): 137.182 Numéro MDL: MFCD00008193 Clé InChI: DZGWFCGJZKJUFP-UHFFFAOYSA-N Synonyme: 4-hydroxyphenylethylamine, tocosine, tyrosamine, tyramin, uteramine, 2-4-hydroxyphenyl ethylamine, p-tyramine, 4-hydroxyphenethylamine, 4-2-aminoethyl phenol, tyramine CID PubChem: 5610 ChEBI: CHEBI:15760 Nom IUPAC: 4-(2-aminoéthyl)phénol SMILES: C1=CC(=CC=C1CCN)O

Chlorhydrate d’histamine, 98+ %, Thermo Scientific Chemicals

Chlorhydrate d’histamine, 98+ %, Thermo Scientific Chemicals

CAS: 56-92-8 Formule moléculaire: C5H11Cl2N3 Poids moléculaire (g/mol): 184.06 Numéro MDL: MFCD00012703 Clé InChI: PPZMYIBUHIPZOS-UHFFFAOYSA-N Synonyme: histaminedium dichloride, 2-4-imidazolyl ethylamine dihydrochloride, 2-1h-imidazol-4-yl ethylamine dihydrochloride, ceplene, peremin, 1h-imidazole-4-ethanamine, dihydrochloride, 1h-imidazole-4-ethanamine dihydrochloride, 2-1h-imidazol-4-yl ethanamine dihydrochloride, histamine 2hcl, histamine dihydrochloride CID PubChem: 5818 Nom IUPAC: dihydrogen 2-(1H-imidazol-5-yl)ethan-1-amine dichloride SMILES: [H+].[H+].[Cl-].[Cl-].NCCC1=CN=CN1

2-(2-bromophényl)éthylamine, 97 %, Thermo Scientific Chemicals

2-(2-bromophényl)éthylamine, 97 %, Thermo Scientific Chemicals

CAS: 65185-58-2 Formule moléculaire: C8H10BrN Poids moléculaire (g/mol): 200.079 Numéro MDL: MFCD01529874 Clé InChI: ITRNQMJXZUWZQL-UHFFFAOYSA-N Synonyme: 2-bromo-phenethylamine, 2-bromo phenethylamine, 1-amino-2-bromophenyl ethane, 2-2-bromopheneyl ethylamine, 2-bromo phenethylamin, benzeneethanamine, 2-bromo, 2-2-bromophenyl ethan-1-amine, 2-2-bromophenyl ethylamine, 2-2-bromophenyl ethanamine, 2-bromophenethylamine CID PubChem: 2734091 Nom IUPAC: 2-(2-bromophényl)éthanamine SMILES: C1=CC=C(C(=C1)CCN)Br

2-(-Fluorophényl)éthylamine,3-fluorophényl)éthylamine, ≥ 97 %, Thermo Scientific Chemicals

2-(-Fluorophényl)éthylamine,3-fluorophényl)éthylamine, ≥ 97 %, Thermo Scientific Chemicals

CAS: 404-70-6 Formule moléculaire: C8H11FN Poids moléculaire (g/mol): 140.18 Numéro MDL: MFCD00075376 Clé InChI: AUCVZEYHEFAWHO-UHFFFAOYSA-O Synonyme: 3-fluoro phenethylamine, m-fluorophenylethylamine, 3-flourophenethylamine, m-fluorophenethylamine, benzeneethanamine, 3-fluoro, 2-3-fluorophenyl ethan-1-amine, 2-3-fluorophenyl ethanamine, 2-3-fluoro-phenyl-ethylamine, 2-3-fluorophenyl ethylamine, 3-fluorophenethylamine CID PubChem: 533928 Nom IUPAC: 2-(3-fluorophényl)éthanamine SMILES: [NH3+]CCC1=CC=CC(F)=C1

2-(4-bromophényl)éthylamine, 98 %, Thermo Scientific Chemicals

2-(4-bromophényl)éthylamine, 98 %, Thermo Scientific Chemicals

CAS: 73918-56-6 Formule moléculaire: C8H11BrN Poids moléculaire (g/mol): 201.09 Numéro MDL: MFCD00008189 Clé InChI: ZSZCXAOQVBEPME-UHFFFAOYSA-O Synonyme: 1-amino-2-4-bromophenyl ethane, 4-bromobenzeneethanamine, 4-bromophenylethylamine, 2-4-bromophenyl ethan-1-amine, benzeneethanamine, 4-bromo, 2-4-bromo-phenyl-ethylamine, p-bromophenethylamine, 2-4-bromophenyl ethanamine, 2-4-bromophenyl ethylamine, 4-bromophenethylamine CID PubChem: 533915 SMILES: [NH3+]CCC1=CC=C(Br)C=C1

Chlorhydrate de tyramine, 98 %, Thermo Scientific Chemicals

Chlorhydrate de tyramine, 98 %, Thermo Scientific Chemicals

CAS: 60-19-5 Formule moléculaire: C8H12ClNO Poids moléculaire (g/mol): 173.64 Numéro MDL: MFCD00012901 Clé InChI: RNISDHSYKZAWOK-UHFFFAOYSA-N Synonyme: unii-z5kdh3h147, tyramine hcl, p-tryamine hydrochloride, phenol, 4-2-aminoethyl-, hydrochloride, p-tyramine hydrochloride, tyramine monochloride, tyrosamine hydrochloride, 4-hydroxyphenethylamine hydrochloride, 4-2-aminoethyl phenol hydrochloride, tyramine hydrochloride CID PubChem: 66449 Nom IUPAC: 4-(2-aminoéthyl)phénol;chlorhydrate SMILES: [H+].[Cl-].NCCC1=CC=C(O)C=C1

Chlorhydrate de tyramine, 99 %, Thermo Scientific Chemicals

Chlorhydrate de tyramine, 99 %, Thermo Scientific Chemicals

CAS: 60-19-5 Formule moléculaire: C8H12ClNO Poids moléculaire (g/mol): 173.64 Numéro MDL: MFCD00012901 Clé InChI: RNISDHSYKZAWOK-UHFFFAOYSA-N Synonyme: unii-z5kdh3h147, tyramine hcl, p-tryamine hydrochloride, phenol, 4-2-aminoethyl-, hydrochloride, p-tyramine hydrochloride, tyramine monochloride, tyrosamine hydrochloride, 4-hydroxyphenethylamine hydrochloride, 4-2-aminoethyl phenol hydrochloride, tyramine hydrochloride CID PubChem: 66449 SMILES: [H+].[Cl-].NCCC1=CC=C(O)C=C1

2-(4-Chlorophényl)éthylamine, 97 %, Thermo Scientific Chemicals

2-(4-Chlorophényl)éthylamine, 97 %, Thermo Scientific Chemicals

CAS: 156-41-2 Formule moléculaire: C8H11ClN Poids moléculaire (g/mol): 156.63 Numéro MDL: MFCD00008191 Clé InChI: SRXFXCKTIGELTI-UHFFFAOYSA-O Synonyme: beta-p-chlorophenyl ethylamine, benzeneethanamine, 4-chloro, 2-4-chloro-phenyl-ethylamine, 4-chlorobenzeneethanamine, 2-4-chlorophenyl ethan-1-amine, p-chlorophenethylamine, 2-p-chlorophenyl ethylamine, 2-4-chlorophenyl ethanamine, 2-4-chlorophenyl ethylamine, 4-chlorophenethylamine CID PubChem: 67430 Nom IUPAC: 2-(4-chlorophenyl)ethan-1-aminium SMILES: [NH3+]CCC1=CC=C(Cl)C=C1

Thiophène-2-éthylamine, 98 %, Thermo Scientific Chemicals

Thiophène-2-éthylamine, 98 %, Thermo Scientific Chemicals

CAS: 30433-91-1 Formule moléculaire: C6H9NS Poids moléculaire (g/mol): 127.21 Numéro MDL: MFCD00051495 Clé InChI: HVLUYXIJZLDNIS-UHFFFAOYSA-N Synonyme: 2-2-aminoethyl thiophene, 2-thiophen-2-yl ethan-1-amine, thiopheneethylamine, 2-thiopheneethanamine, 2-thien-2-ylethanamine, 2-2-thienyl ethylamine, thiopheneethanamine, 2-thiophen-2-yl ethanamine, 2-thiopheneethylamine, thiophene-2-ethylamine CID PubChem: 116521 Nom IUPAC: 2-thiophène-2-ylethanamine SMILES: C1=CSC(=C1)CCN

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