AG01DDOO

1391571-15-5 | methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate hydrochloride

AG01DDOO

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CAS Number	1391571-15-5
Catalog Number	AG01DDOO
Chemical Name	methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate hydrochloride
IUPAC Name	methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate;hydrochloride
InChI	InChI=1S/C12H17NO2.ClH/c1-8-4-5-10(9(2)6-8)7-11(13)12(14)15-3;/h4-6,11H,7,13H2,1-3H3;1H/t11-;/m0./s1
InChI Key	CRGIWBPGJAHRNL-MERQFXBCSA-N
MDL Number	MFCD12911182
Molecular Formula	C12H18ClNO2
Molecular Weight	243.7298
SMILES	O=C(OC)[C@@H](N)CC1=CC=C(C)C=C1C.[H]Cl
Synonyms	1391571-15-5, AKOS032954097, DS-20202, METHYL (2S)-2-AMINO-3-(2,4-DIMETHYLPHENYL)PROPANOATE HYDROCHLORIDE, (S)-Methyl 2-amino-3-(2,4-dimethylphenyl)propanoate hydrochloride,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	243.103g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	243.731g/mol
Monoisotopic Mass	243.103g/mol
Rotatable Bond Count	4
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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