AG003CLT

40856-44-8 | (S)-3-Amino-3-phenylpropionic acid

AG003CLT

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CAS Number	40856-44-8
Catalog Number	AG003CLT(AGN-PC-0RPD16)
Chemical Name	(S)-3-Amino-3-phenylpropionic acid
IUPAC Name	(3S)-3-amino-3-phenylpropanoic acid
InChI	InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChI Key	UJOYFRCOTPUKAK-QMMMGPOBSA-N
MDL Number	MFCD01076238
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	[C@@H](CC(=O)O)(N)c1ccccc1
Synonyms	(s)-3-amino-3-phenylpropionic acid, 40856-44-8, (s)-3-amino-3-phenylpropanoic acid, (s)-beta-phenylalanine, (3S)-3-amino-3-phenylpropanoic acid, (s)-3-phenyl-beta-alanine, (s)-3-amino-3-phenyl-propionic acid, (S)-3-Amino-3-phenylpropionicacid, D-beta-Phenylalanine, (S)--phenylalanine, (S)-3-amino-3-phenylpropanoate, h-beta-phe-oh, SFE, s-beta-phenylalanine, (s)-b-phenylalanine, (S)-A-phenylalanine, AC1LEIFR, PubChem17293, (s)-beta3-phenylalanine, d-(-)-3-amino-3-phenylpropionic acid, l-(+)-3-amino-3-phenylpropionic acid, Cambridge id 5100473, Oprea1_051046, SCHEMBL123765, AC1Q4U79, CHEBI:68525, CTK4I3916, KS-00000AOY, ZINC54291, UJOYFRCOTPUKAK-QMMMGPOBSA-N, 13921-90-9, ACT09698, ANW-29517, CP-051, MFCD01076238, (s)-3-amino-3-phenyl-propanoic acid, AKOS010394728, AKOS015853928, CS-W002743, LS30295, MCULE-4499633586, RP22796, (3S)-3-azanyl-3-phenyl-propanoic acid, Benzenepropanoic acid, b-amino-, (bS)-, AJ-09186, AS-19757, SC-45519, AB0006433, DB-013679, ST2402813, TR-016292, FT-0639676, Y6725, EN300-68310, 49A472, C20488, K-8689, A825324, (S)-3-Amino-3-phenylpropanoic Acid Hydrochloride Salt, Z1696869991, (2H)Formaldehyde, L-beta-Phenylalanine, C9H11NO2, -3-Amino-3-phenylpropanoicacid, CID686704, ACN-039893, CB11746, A6811, 83649-47-2,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

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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