AG00I53N

269398-79-0 | Benzenebutanoic acid, beta-amino-2-methyl-, (betar)-

AG00I53N

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CAS Number	269398-79-0
Catalog Number	AG00I53N(AGN-PC-0R2UBN)
Chemical Name	Benzenebutanoic acid, beta-amino-2-methyl-, (betar)-
IUPAC Name	(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
InChI	InChI=1S/C11H15NO2.ClH/c1-8-4-2-3-5-9(8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChI Key	WQUTWBVBKSYCPR-HNCPQSOCSA-N
MDL Number	MFCD01860921
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
SMILES	N[C@@H](CC(=O)O)CC1=C(C=CC=C1)C
Synonyms	269398-79-0, (R)-3-Amino-4-(o-tolyl)butanoic acid hydrochloride, (R)-3-AMINO-4-(2-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE, 331846-92-5, (R)-3-Amino-4-(2-methylphenyl)butyric acid hydrochloride, 2-Methyl-D-beta-homophenylalanine hydrochloride, (R)-3-Amino-4-(2-methyl-phenyl)-butyric acid-HCl, (R)-3-AMINO-4-(2-METHYLPHENYL)-BUTYRIC ACID-HCL, CTK8E9410, DTXSID90647463, BCP11563, MFCD01860921, AKOS015890207, CA-1839, AC-22223, ACM269398790, AK114824, AN-29261, CC-01096, PS-12257, AX8013339, RT-007921, TL8002141, 2-Methyl-L-b-homophenylalanine hydrochloride, FT-0644201, ST24035457, Z5799, K-6903, (R)-3-Amino-4-(2-methylphenyl)butanoic acid HCl, (R)-3-amino-4-o-tolylbutanoic acid hydrochloride, 398A790, C-13288, (R)-3-Amino-4-(2-methyl-phenyl)-butyric acid HCl, I01-5188, (3R)-3-amino-4-(o-tolyl)butanoic acid hydrochloride, (3R)-3-amino-4-(o-tolyl)butanoic acid;hydrochloride, (3R)-3-amino-4-(o-tolyl)butyric acid;hydrochloride, (3R)-3-amino-4-(2-methylphenyl)butanoic acid hydrochloride, (3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride, (3R)-3-azanyl-4-(2-methylphenyl)butanoic acid;hydrochloride, (3R)-3-Amino-4-(2-methylphenyl)butanoic acid--hydrogen chloride (1/1), C11H15NO2.HCl, ACN-026152, 270062-89-0,

Complexity	194
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

Lot Number