AG008S10

103957-56-8 | DL-3,4-Dimethylphenylalanine

AG008S10

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CAS Number	103957-56-8
Catalog Number	AG008S10(AGN-PC-0OSPPC)
Chemical Name	DL-3,4-Dimethylphenylalanine
IUPAC Name	2-amino-3-(3,4-dimethylphenyl)propanoic acid;hydrochloride
InChI	InChI=1S/C11H15NO2.ClH/c1-7-3-4-9(5-8(7)2)6-10(12)11(13)14;/h3-5,10H,6,12H2,1-2H3,(H,13,14);1H
InChI Key	QVTAHBOLRJHIJE-UHFFFAOYSA-N
MDL Number	MFCD09752960
Molecular Formula	C11H16ClNO2
Molecular Weight	229.7032
SMILES	C(C(C(=O)O)N)c1cc(C)c(cc1)C.Cl
Synonyms	103957-56-8, 2-Amino-3-(3,4-dimethylphenyl)propanoic acid hydrochloride, AKOS026670222, DL-3,4-Dimethylphenylalanine hydrochloride, Z2240999738, 2-amino-3-(3,4-dimethylphenyl)propanoic acid;hydrochloride, dl-3,4-dimethylphenylalanine, (+)-(5Z,7E)-(1S,3R,20S)-20-(3-Hydroxy-3-methylbutyloxy)-9,10-secopregna-5,7,10(19)-triene-1,3-diol,

Complexity	206
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	3
Isotope Atom Count	0
Molecular Weight	229.704g/mol
Monoisotopic Mass	229.087g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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