AG001XMP

167834-24-4 | (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride

AG001XMP

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CAS Number	167834-24-4
Catalog Number	AG001XMP(AGN-PC-0Q94JJ)
Chemical Name	(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
EC Number	605-490-5
IUPAC Name	ethyl (3S)-3-amino-3-phenylpropanoate;hydrochloride
InChI	InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-;/m0./s1
InChI Key	ATSZQDTVNRNXKB-PPHPATTJSA-N
MDL Number	MFCD02259715
Molecular Formula	C11H16ClNO2
Molecular Weight	229.7032
SMILES	O=C(OCC)C[C@H](N)C1=CC=CC=C1.[H]Cl
Synonyms	167834-24-4, (S)-Ethyl 3-amino-3-phenylpropanoate hydrochloride, (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride, ethyl (3S)-3-amino-3-phenylpropanoate hydrochloride, (3S)-3-amino-3-phenylpropanoic acid ethyl ester HCl, (S)-beta-Phenylalanine ethyl ester hydrochloride, (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride, 95%, 98% ee, PubChem13852, SCHEMBL350881, CTK8C2688, KS-00000GDU, DTXSID00628465, ATSZQDTVNRNXKB-PPHPATTJSA-N, BCP13906, (s)-b-phenylalanine ethyl ester hcl, ANW-68844, CP-282, MFCD02259715, AC-5695, LS30297, MCULE-5205829616, NE34511, RP27847, VC30719, DS-16367, Ethyl (S)-beta-aminobenzenepropanoate HCl, SC-50198, TC-157589, FT-0652803, ST50405554, (s)-3-amino-3-phenylpropanoicacidethylesterhcl, 834A244, ethyl (3S)-3-amino-3-phenylpropanoate, chloride, Ethyl beta(S)-aminobenzenepropanoate Hydrochloride, (S)-3-Amino-3-phenylpropanoic acid ethyl ester hyd, ethyl (S)-3-amino-3-phenyl-propionate hydrochloride, ethyl (S)-3-amino-3-phenylpropionate hydrochloride, Z1416200903, (3s)-3-amino-3-phenyl propanoic acid ethyl ester hydrochloride, (s)-3-amino-3-phenylpropanoicacidethylesterhydrochloride(e.e.), (s)-3-amino-3-phenylpropionic acid ethyl ester hydrochloride, (s)-3-amino-3-phenyl propanoic acid ethyl ester hydrochloride salt, Ethyl (3S)-3-amino-3-phenylpropanoate--hydrogen chloride (1/1), (S)-3-amino-3-phenylpropanoic acid ethyl ester hydrochloride, AldrichCPR, Benzenepropanoic acid, beta-amino-, ethyl ester, hydrochloride (1:1), (betaS)-, ACN-052714, CB11690, [(1S)-3-ethoxy-3-oxo-1-phenylpropyl]azanium, (S)-3-Amino-3-phenylpropanoic Acid Ethyl Ester HCl,

Complexity	176
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	2
Isotope Atom Count	0
Molecular Weight	229.704g/mol
Monoisotopic Mass	229.087g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.3A^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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