AG003U7F

22572-33-4 | 2-(Benzylthio)ethylamine hydrochloride

AG003U7F

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CAS Number	22572-33-4
Catalog Number	AG003U7F(AGN-PC-00L8ZI)
Chemical Name	2-(Benzylthio)ethylamine hydrochloride
IUPAC Name	2-benzylsulfanylethanamine;hydrochloride
InChI	InChI=1S/C9H13NS.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H
InChI Key	XZXIWQYIVDFDSP-UHFFFAOYSA-N
MDL Number	MFCD00191774
Molecular Formula	C9H14ClNS
Molecular Weight	203.7322
SMILES	S(CCN)CC1=CC=CC=C1.Cl
Synonyms	22572-33-4, S-Benzylcysteamine hydrochloride, 2-(Benzylthio)ethylamine hydrochloride, 2-(benzylthio)ethanamine hydrochloride, S-benzyl-2-aminoethanethiol hydrochloride, 2-(phenylmethylthio)ethylamine, chloride, ACMC-20ajr9, SCHEMBL1466264, CTK8C5437, XZXIWQYIVDFDSP-UHFFFAOYSA-N, ZX-CM009143, MFCD00191774, SBB003512, AKOS015889408, S-Benzylcysteamine hydrochloride, 99%, MCULE-2152874100, [2-(Benzylthio)ethyl]amine hydrochloride, TC-165276, FT-0694978, ST50319511, 2-(benzylsulfanyl)-1-ethanamine hydrochloride, J-014769, I01-17839, 2-(benzylthio)ethanamine, C9-H13-N-S.Cl-H, USAF A-2341, beta-(Benzylthio)ethylamine hydrochloride, Ethanamine, 2-[(phenylmethyl)thio]-, hydrochloride, ETHYLAMINE, 2-(BENZYLTHIO)-, HYDROCHLORIDE, Ethanamine, 2-((phenylmethyl)thio)-, hydrochloride (9CI),

Complexity	89.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.728g/mol
Monoisotopic Mass	203.054g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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