AG003594

53171-39-4 | Methyl Succinamate

AG003594

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CAS Number	53171-39-4
Catalog Number	AG003594(AGN-PC-0NJDH8)
Chemical Name	Methyl Succinamate
IUPAC Name	methyl 4-amino-4-oxobutanoate
InChI	InChI=1S/C5H9NO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H2,6,7)
InChI Key	HURZMSZDVGMYKJ-UHFFFAOYSA-N
MDL Number	MFCD08276419
Molecular Formula	C5H9NO3
Molecular Weight	131.1299
SMILES	C(CCC(=O)N)(=O)OC
Synonyms	Methyl Succinamate, 53171-39-4, methyl 4-amino-4-oxobutanoate, Succinamic Acid Methyl Ester, Butanoic acid, 4-amino-4-oxo-, methyl ester, METHYLSUCCINAMATE, 3-carbomethoxypropionamide, ACMC-1AUO3, SCHEMBL2977827, CTK4J7173, DTXSID20502233, HURZMSZDVGMYKJ-UHFFFAOYSA-N, KS-000012RE, METHYL 3-CARBAMOYLPROPANOATE, ANW-31650, MFCD08276419, ZINC14718431, AKOS006221417, SC-88449, TC-120395, Butanoic acid,4-amino-4-oxo-, methyl ester, S0479, I14-12153, I14-63578,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.058g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	131.131g/mol
Monoisotopic Mass	131.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	69.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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