AG00BDV2

270062-95-8 | (S)-3-Amino-4-(4-methylphenyl)butanoic acid, HCl

AG00BDV2

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CAS Number	270062-95-8
Catalog Number	AG00BDV2(AGN-PC-0R2WHZ)
Chemical Name	(S)-3-Amino-4-(4-methylphenyl)butanoic acid, HCl
IUPAC Name	(3S)-3-amino-4-(4-methylphenyl)butanoic acid;hydrochloride
InChI	InChI=1S/C11H15NO2.ClH/c1-8-2-4-9(5-3-8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m0./s1
InChI Key	LUJTZKGPNYDSGW-PPHPATTJSA-N
MDL Number	MFCD01861025
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
SMILES	CC1=CC=C(C[C@@H](CC(O)=O)N)C=C1
Synonyms	270062-95-8, (S)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride, (S)-3-AMINO-4-(4-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE, (S)-3-Amino-4-(4-methylphenyl)butyric acid hydrochloride, 4-Methyl-L-beta-homophenylalanine hydrochloride, 331846-95-8, (3S)-3-amino-4-(4-methylphenyl)butanoic Acid Hydrochloride, (S)-3-Amino-4-(4-methyl-phenyl)-butyric acid-HCl, (S)-3-AMINO-4-(4-METHYLPHENYL)-BUTYRIC ACID-HCL, AC1MC5C1, CTK8E9388, DTXSID00375841, MFCD01861025, CA-1844, AC-22234, ACM270062958, AN-29290, AS-48793, AX8013344, RT-009774, TL8002159, FT-0644258, (S)-3-Amino-4-(4-methylphenyl)-butyricacid, K-6917, (S)-3-amino-4-p-tolylbutanoic acid hydrochloride, 062A958, (S)-3-Amino-4-(4-methylphenyl)butanoic acid, HCl, I14-3576, (3S)-3-amino-4-(p-tolyl)butanoic acid hydrochloride, (3S)-3-amino-4-(p-tolyl)butanoic acid;hydrochloride, (3S)-3-amino-4-(p-tolyl)butyric acid;hydrochloride, (3S)-3-amino-4-(4-methylphenyl)butanoic acid;hydrochloride, (S)-3-AMINO-4-(4-METHYL-PHENYL)-BUTYRIC ACID HCL, (3S)-3-azanyl-4-(4-methylphenyl)butanoic acid;hydrochloride, (3S)-3-Amino-4-(4-methylphenyl)butanoic acid--hydrogen chloride (1/1), CID2761605,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	229.087g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	229.704g/mol
Monoisotopic Mass	229.087g/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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