AG00D8WZ

51145-57-4 | Ethyl 2-acetyl-3-(dimethylamino)acrylate

AG00D8WZ

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CAS Number	51145-57-4
Catalog Number	AG00D8WZ(AGN-PC-00CPQC)
Chemical Name	Ethyl 2-acetyl-3-(dimethylamino)acrylate
IUPAC Name	ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate
InChI	InChI=1S/C9H15NO3/c1-5-13-9(12)8(7(2)11)6-10(3)4/h6H,5H2,1-4H3/b8-6+
InChI Key	LQSOVGAUOHMPLK-SOFGYWHQSA-N
MDL Number	MFCD00087563
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
SMILES	C(OC(/C(=C/N(C)C)C(=O)C)=O)C
Synonyms	51145-57-4, ethyl 2-acetyl-3-(dimethylamino)acrylate, (E)-ethyl 2-((dimethylamino)methylene)-3-oxobutanoate, Ethyl 2-((dimethylamino)methylene)-3-oxobutanoate, 203186-58-7, Ethyl N,N-dimethylaminomethylene acetoacetate, Ethyl 2-[(dimethylamino)methylidene]-3-oxobutanoate, MFCD00087563, 2-Acetyl-3-(dimethylamino)acrylic acid ethyl ester, ethyl (2E)-2-[(dimethylamino)methylidene]-3-oxobutanoate, ethyl2-acetyl-3-(dimethylamino)acrylate, Ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate, PubChem13075, AC1MC8YI, LQSOVGAUOHMPLK-SOFGYWHQSA-N, ACT08224, ZINC2243868, CE-406, AKOS005070346, AKOS025310760, AB03213, AN-5003, CS-W005704, NE11839, RP03379, RTR-018232, AC-23241, AJ-34397, AK671219, BR-23888, CJ-08041, AB0003663, ST2412883, TR-018232, 4CH-010261, AM20100255, V0654, 4F-012, A-1972, 2-acetyl-3-dimethylamino-acrylic acid ethyl ester, 511E574, I14-1442, J-502001, ethyl (2E)-2-(dimethylaminomethylene)-3-oxo-butanoate, ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate, ETHYL (2E)-2-ACETYL-3-(DIMETHYLAMINO)ACRYLATE, 2-[1-dimethylamino-methylidene]-3-oxo-butyric acid ethyl ester, Butanoic acid, 2-(dimethylamino)ethylene]-3-xo-, ethyl ester, C9H15NO3, ZINC04692756, CID2763877, A7561,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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