AG01DDTN

1391398-83-6 | METHYL (3S)-3-AMINO-3-(2-METHOXYPHENYL)PROPANOATE HYDROCHLORIDE

AG01DDTN

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CAS Number	1391398-83-6
Catalog Number	AG01DDTN
Chemical Name	METHYL (3S)-3-AMINO-3-(2-METHOXYPHENYL)PROPANOATE HYDROCHLORIDE
IUPAC Name	methyl 3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
InChI	InChI=1S/C11H15NO3.ClH/c1-14-10-6-4-3-5-8(10)9(12)7-11(13)15-2;/h3-6,9H,7,12H2,1-2H3;1H
InChI Key	RQROSGBYFAHSDJ-UHFFFAOYSA-N
MDL Number	MFCD12911028
Molecular Formula	C11H16ClNO3
Molecular Weight	245.7026
SMILES	O=C(OC)C[C@H](N)C1=CC=CC=C1OC.[H]Cl
Synonyms	(S)-Methyl 3-amino-3-(2-methoxyphenyl)propanoate hydrochloride, 1391398-83-6, CTK6J1789, AK688648, 3-AMINO-3-(2-METHOXY-PHENYL)-PROPIONIC ACID METHYLESTER HYDROCHLORIDE,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.082g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.703g/mol
Monoisotopic Mass	245.082g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	61.6A^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-P305+P351+P338
UN Code

Certificate of Analysis

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