AG002F1Y

191109-51-0 | Benzeneethanol, β-amino-4-chloro-, (βS)-

AG002F1Y

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CAS Number	191109-51-0
Catalog Number	AG002F1Y(AGN-PC-0QK9EN)
Chemical Name	Benzeneethanol, β-amino-4-chloro-, (βS)-
IUPAC Name	(2S)-2-amino-2-(4-chlorophenyl)ethanol
InChI	InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m1/s1
InChI Key	AJASJZNNGLIKBY-MRVPVSSYSA-N
MDL Number	MFCD09253716
Molecular Formula	C8H10ClNO
Molecular Weight	171.6241
SMILES	ClC1=CC=C([C@H](N)CO)C=C1
Synonyms	191109-51-0, (2S)-2-AMINO-2-(4-CHLOROPHENYL)ETHAN-1-OL, (S)-2-Amino-2-(4-chlorophenyl)ethanol, MFCD09253716, AMGLY00142, SCHEMBL1308806, AJASJZNNGLIKBY-MRVPVSSYSA-N, ZINC12404648, AKOS006330069, AKOS015927949, DS-7441, (S)-beta-Amino-4-chloro-benzeneethanol, AJ-62145, (betaS)-beta-Amino-4-chlorobenzeneethanol, (s)-2-amino-2-(4-chloro-phenyl)-ethanol, DB-030565, (S)-2-Amino-2-(4-chlorophenyl)ethan-1-ol, Benzeneethanol, beta-amino-4-chloro-, (betaS)-, (S)-b-Amino-4-chloro-benzeneethanol, ACN-040956, (2S)-2-AMINO-2-(4-CHLOROPHENYL)ETHAN-1-OL HCl,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	171.045g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.624g/mol
Monoisotopic Mass	171.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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