AG001837

138165-77-2 | Benzenebutanoic acid, β-amino-, hydrochloride (1:1), (βS)-

AG001837

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CAS Number	138165-77-2
Catalog Number	AG001837(AGN-PC-0PM9GC)
Chemical Name	Benzenebutanoic acid, β-amino-, hydrochloride (1:1), (βS)-
IUPAC Name	(3S)-3-amino-4-phenylbutanoic acid;hydrochloride
InChI	InChI=1S/C10H13NO2.ClH/c11-9(7-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m0./s1
InChI Key	MQTMGKGSJOPWJW-FVGYRXGTSA-N
MDL Number	MFCD01862875
Molecular Formula	C10H14ClNO2
Molecular Weight	215.6767
SMILES	O=C(O)C[C@@H](N)CC1=CC=CC=C1.[H]Cl
Synonyms	138165-77-2, (S)-3-Amino-4-phenylbutyric acid hydrochloride, L-beta-Homophenylalanine hydrochloride, (S)-3-amino-4-phenylbutanoic acid hydrochloride, H-beta-HoPhe-OH.HCl, (3S)-3-amino-4-phenylbutanoic acid hydrochloride, L-beta-Homophenylalanine, (S)-3-AMINO-4-PHENYLBUTANOIC ACID HCL, J-502210, L-beta-homophenylalanine-HCl, AK-44152, PubChem13855, (3S)-3-amino-4-phenylbutanoic acid;hydrochloride, H-L-beta-HPhe-OH*HCl, AC1MC56A, L-Beta-homophenylalanine, HCl, H-b-HoPhe(4-phenyl)-OH HCl, CTK3J1253, DTXSID70375818, ANW-42972, Benzenebutanoic acid, beta-amino-, hydrochloride (1:1), (betaS)-, CH-291, MFCD01862875, AKOS015849454, BL732-1, DS-1092, RTR-005051, KS-0000190D, AN-10693, BR-44152, CC-01399, SC-46102, AB0047693, AX8012173, TL8006137, TR-005051, FT-0643280, ST24026591, Z5583, S-4553, 3 (S)-amino-4-phenyl-butyric acid hydrochloride, (3S)-3-amino-4-phenyl-butyric acid;hydrochloride, 165H772, C-11564, L-beta-Homophenylalanine hydrochloride, >=98.0%, (3S)-3-amino-4-phenyl-butanoic acid hydrochloride, (3S)-3-amino-4-phenyl-butanoic acid;hydrochloride, (3S)-3-azanyl-4-phenyl-butanoic acid;hydrochloride, J-007103, J-521634, (S)-3-AMINO-4-PHENYL-BUTANOIC ACID HYDROCHLORIDE, (3S)-3-Amino-4-phenylbutanoic acid hydrochloride (1:1), (3S)-3-Amino-4-phenylbutanoic acid--hydrogen chloride (1/1), H-|A-HoPhe-OH.HCl, C10H13NO2.HCl, L-beta-Homophenylalaninehydrochloride, ACN-026023, CB11693, CID2761536, (S)-3-Amino-4-phenylbutyricacidhydrochloride, 3-amino-4-phenyl-butanoic Acid Hydrochloride, (R)-3-Amino-4-phenylbutyric acid hydrochloride, L-beta-Homophenylalanine hydrochloride, 98% - 1G 1g, (S)-3-Amino-4-phenylbutyric acid hydrochloride; (S)-b-Aminobenzenebutanoic acid hydrochloride, 105382-09-0,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	215.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	215.677g/mol
Monoisotopic Mass	215.071g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number