AG005GYI

7597-56-0 | Ethyl 3-amino-3-oxopropanoate

AG005GYI

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CAS Number	7597-56-0
Catalog Number	AG005GYI(AGN-PC-0JODVV)
Chemical Name	Ethyl 3-amino-3-oxopropanoate
IUPAC Name	ethyl 3-amino-3-oxopropanoate
InChI	InChI=1S/C5H9NO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H2,6,7)
InChI Key	UVSPVEYCSVXYBB-UHFFFAOYSA-N
MDL Number	MFCD00043150
Molecular Formula	C5H9NO3
Molecular Weight	131.1299
NSC Number	42301
SMILES	O=C(OCC)CC(N)=O
Synonyms	Ethyl 3-amino-3-oxopropanoate, 7597-56-0, Ethyl malonate monoamide, Ethyl carbamoylacetate, ethyl 2-carbamoylacetate, Propanoic acid, 3-amino-3-oxo-, ethyl ester, UVSPVEYCSVXYBB-UHFFFAOYSA-N, ethyl malonamate, Monoethylmalonate monoamide, alpha-carbetoxyacetamide, ethoxycarbo nylacetamide, Mono-ethylmalonate monoamide, AC1Q34OA, Malonamidic acid ethyl ester, ETHYL MALONATEMONOAMIDE, KSC642E8L, SCHEMBL124734, CTK5E2285, DTXSID50285562, Ethyl 3-amino-3-oxopropanoate #, ZINC391160, 2-carbamoyl-acetic acid ethyl ester, AC1L6092, NSC42301, ANW-73870, MFCD00043150, NSC-42301, SBB069856, AKOS009157466, CS-W002214, VZ32209, KS-00000K47, 3-amino-3-oxopropanoic acid ethyl ester, AJ-21044, AK-44357, BR-44357, CJ-03477, ethyl 3-azanyl-3-oxidanylidene-propanoate, SC-16808, SY015543, ZB011973, AB0026600, ST2419330, TC-162615, 4CH-012993, FT-0636530, Propanoicacid, 3-amino-3-oxo-, ethyl ester, W8303, Ethyl malonate monoamide, >=95.0% (HPLC), MFCD00043150 (95%), M-7780, A838567, S05-0103, C5H9NO3, CID238112, ACN-025695,

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	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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