AG003RA7

83079-77-0 | Benzenebutanoic acid, α-​amino-​, 1,​1-​dimethylethyl ester, (αS)​-

AG003RA7

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CAS Number	83079-77-0
Catalog Number	AG003RA7(AGN-PC-0UNRFJ)
Chemical Name	Benzenebutanoic acid, α-​amino-​, 1,​1-​dimethylethyl ester, (αS)​-
IUPAC Name	tert-butyl (2S)-2-amino-4-phenylbutanoate
InChI	InChI=1S/C14H21NO2/c1-14(2,3)17-13(16)12(15)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3/t12-/m0/s1
InChI Key	CANQRTXTMVVNCH-LBPRGKRZSA-N
MDL Number	MFCD06410793
Molecular Formula	C14H21NO2
Molecular Weight	235.3220
SMILES	C(C[C@@H](C(=O)OC(C)(C)C)N)c1ccccc1
Synonyms	83079-77-0, L-Homophenylalanine tert-Butyl Ester, (S) alfa Aminobenzenebutanoic acid 1,1-dimethylethyl ester, SCHEMBL2307682, KS-00000ANA, L-Homophenylalanine t-butyl ester, CANQRTXTMVVNCH-LBPRGKRZSA-N, L-Homophenylalaninetert-ButylEster, MFCD06410793, ZINC85650612, AKOS027256637, AB24874, ABA-9243000, (L)-Homophenylalanine, tert-butyl ester, CS-12893, FT-0772700, tert-butyl (2S)-2-amino-4-phenyl-butanoate, ALFAAMINOBENZENEBUTANOICACID1,1-DIMETHYLETHYLESTER, (S)ALFAAMINOBENZENEBUTANOICACID1,1-DIMETHYLETHYLESTER,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	235.157g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.327g/mol
Monoisotopic Mass	235.157g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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