AG004RK8

85808-33-9 | DL-Homophenylalanine methyl ester HCl

AG004RK8

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CAS Number	85808-33-9
Catalog Number	AG004RK8(AGN-PC-00KMTY)
Chemical Name	DL-Homophenylalanine methyl ester HCl
IUPAC Name	methyl 2-amino-4-phenylbutanoate;hydrochloride
InChI	InChI=1S/C11H15NO2.ClH/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H
InChI Key	PZKOPSSMUBBHMM-UHFFFAOYSA-N
MDL Number	MFCD08458513
Molecular Formula	C11H16ClNO2
Molecular Weight	229.7032
SMILES	O=C(OC)C(N)CCC1=CC=CC=C1.[H]Cl
Synonyms	85808-33-9, H-DL-HoPhe-OMe.HCl, DL-Homophenylalanine methyl ester hydrochloride, H-HoPhe-OMe.HCl, DL-Homophenylalanine methyl ester HCl, SCHEMBL4634585, CTK8F9294, DTXSID00516499, PZKOPSSMUBBHMM-UHFFFAOYSA-N, KM2364, MFCD08458513, AKOS025289496, AK170260, Methyl (d)-2-amino-4-phenylbutanoate HCl, FT-0699081, V8134, methyl 2-amino-4-phenylbutanoate;hydrochloride, Methyl-2-amino-4-phenylbutyrate hydrochloride, methyl (2S)-2-amino-4-phenylbutanoate;hydrochloride, DL-homophenylalanine methyl ester hydrochloride, AldrichCPR, Methyl 2-amino-4-phenylbutanoate--hydrogen chloride (1/1), H-DL-Hph-OMe.HCl, C11H15NO2.HCl, ACN-034081, 60425-49-2,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number