AG00BD4U

270596-38-8 | (S)-3-AMINO-4-(3-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE

AG00BD4U

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CAS Number	270596-38-8
Catalog Number	AG00BD4U(AGN-PC-0R2XUM)
Chemical Name	(S)-3-AMINO-4-(3-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE
IUPAC Name	(3S)-3-amino-4-(3-chlorophenyl)butanoic acid;hydrochloride
InChI	InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1
InChI Key	MRFPEMYQUCEGDY-FVGYRXGTSA-N
MDL Number	MFCD01860998
Molecular Formula	C10H12ClNO2
Molecular Weight	213.6608
SMILES	O=C(O)C[C@@H](N)CC1=CC=CC(Cl)=C1
Synonyms	(S)-3-AMINO-4-(3-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, 270596-38-8, 331763-54-3, (S)-3-Amino-4-(3-chlorophenyl)butyric acid hydrochloride, (3S)-3-amino-4-(3-chlorophenyl)butanoic Acid Hydrochloride, 3-Chloro-L-beta-homophenylalanine hydrochloride, AK114880, AC1MC58P, KS-00000FUR, CA-529, MFCD01860998, AKOS015890216, DS-3934, AC-22156, ACM270596388, ACM331763543, AN-29301, AX8011959, RT-008685, TL8002181, FT-0644319, ST24036124, Z5811, 3-Chloro-L-ss-homophenylalanine hydrochloride, A-7943, 596A388, (S)-3-Amino-4-(3-chloro-phenyl)-butyric acid HCl, (S)-3-amino-4-(3-chloro-phenyl)-butyric acid-HCl, (S)-3-Amino-4-(3-chlorophenyl)-butyric acid-HCl, (S)-3-Amino-4-(3-chlorophenyl)butanoic acid, HCl, I01-5195, (3S)-3-amino-4-(3-chlorophenyl)butanoic acid;hydrochloride, (3S)-3-amino-4-(3-chlorophenyl)butyric acid;hydrochloride, (3S)-3-azanyl-4-(3-chlorophenyl)butanoic acid;hydrochloride, (S)-3-Amino-4-(3-chloro-phenyl)-butyric acid hydrochloride, Benzenebutanoicacid, b-amino-3-chloro-, hydrochloride (1:1), (bS)-, C10H13Cl2NO2, ACN-026228, CID2761565, -3-AMINO-4- BUTANOICACIDHYDROCHLORIDE,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.032g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	250.119g/mol
Monoisotopic Mass	249.032g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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