AG003ADJ

87004-78-2 | D-Phenylalanine, phenylmethyl ester, hydrochloride

AG003ADJ

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CAS Number	87004-78-2
Catalog Number	AG003ADJ(AGN-PC-0OKR0S)
Chemical Name	D-Phenylalanine, phenylmethyl ester, hydrochloride
IUPAC Name	benzyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
InChI	InChI=1S/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m1./s1
InChI Key	CEXFHIYDTRNBJD-XFULWGLBSA-N
MDL Number	MFCD16038769
Molecular Formula	C16H18ClNO2
Molecular Weight	291.7726
SMILES	Cl.N[C@H](CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
Synonyms	87004-78-2, D-PHE-OBZL HCL, d-phenylalanine benzyl ester hydrochloride, H-D-PHE-OBZL P-TOSYLATE, (R)-Benzyl 2-amino-3-phenylpropanoate hydrochloride, AK-40673, D-Phe-OBn.HCl, SCHEMBL6364440, CEXFHIYDTRNBJD-XFULWGLBSA-N, KS-00000LG8, MFCD16038769, AKOS027339692, KS-00000I44, DS-12370, SC-17037, D-Phenylalanine, phenylmethyl ester, hydrochloride, benzyl (2R)-2-amino-3-phenylpropanoate hydrochloride, H-Phe-OBzl.HCl, D-Phe-OBzl.HCl, ACN-033469, L-Phenylalanine benzyl ester hydrochloride, 2462-32-0, 28607-46-7, N/A,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	291.103g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	291.775g/mol
Monoisotopic Mass	291.103g/mol
Rotatable Bond Count	6
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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