AG000PJE

1197231-86-9 | 2-Pyridinepropanoic acid, β-amino-, methyl ester, hydrochloride (1:2)

AG000PJE

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CAS Number	1197231-86-9
Catalog Number	AG000PJE(AGN-PC-0WAMKL)
Chemical Name	2-Pyridinepropanoic acid, β-amino-, methyl ester, hydrochloride (1:2)
IUPAC Name	methyl 3-amino-3-pyridin-2-ylpropanoate;dihydrochloride
InChI	InChI=1S/C9H12N2O2.2ClH/c1-13-9(12)6-7(10)8-4-2-3-5-11-8;;/h2-5,7H,6,10H2,1H3;2*1H
InChI Key	JMILGFYNSSLFRJ-UHFFFAOYSA-N
MDL Number	MFCD06740410
Molecular Formula	C9H14Cl2N2O2
Molecular Weight	253.1257
SMILES	O=C(OC)CC(N)C1=NC=CC=C1.[H]Cl.[H]Cl
Synonyms	1197231-86-9, Methyl 3-amino-3-(pyridin-2-yl)propanoate dihydrochloride, 3-Amino-3-pyridin-2-yl-propionic acid methyl ester dihydrochloride, 3-Amino-3-pyridin-2-yl-propionic acid methyl ester 2HCl, (S)-Methyl 3-amino-3-(pyridin-2-yl)propanoate dihydrochloride, SCHEMBL3283896, KS-00000LR4, AKOS015996316, AK409737, DS-18683, methyl 3-amino-3-pyridin-2-ylpropanoate;dihydrochloride, 3-amino-3-pyridin-2-yl-propionic acid methyl esterdihydrochloride, 2-Pyridinepropanoic acid, beta-amino-, methyl ester, hydrochloride (1:2), A57836, 872001-58-6,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.043233g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	253.12g/mol
Monoisotopic Mass	252.043233g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	65.2Ų
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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