AG003PF6

1210-92-0 | 4,5-diethyl 1-methylimidazole-4,5-dicarboxylate

AG003PF6

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CAS Number	1210-92-0
Catalog Number	AG003PF6(AGN-PC-00O980)
Chemical Name	4,5-diethyl 1-methylimidazole-4,5-dicarboxylate
IUPAC Name	diethyl 1-methylimidazole-4,5-dicarboxylate
InChI	InChI=1S/C10H14N2O4/c1-4-15-9(13)7-8(10(14)16-5-2)12(3)6-11-7/h6H,4-5H2,1-3H3
InChI Key	UCXNJCCDGQJSSE-UHFFFAOYSA-N
MDL Number	MFCD18651756
Molecular Formula	C10H14N2O4
Molecular Weight	226.2292
SMILES	CCOC(C1=C(C(OCC)=O)N(C)C=N1)=O
Synonyms	Diethyl 1-Methylimidazole-4,5-dicarboxylate, 1210-92-0, Diethyl 1-methyl-1H-imidazole-4,5-dicarboxylate, 4,5-Diethyl 1-methylimidazole-4,5-dicarboxylate, 4,5-diethyl 1-methyl-1H-imidazole-4,5-dicarboxylate, 1H-Imidazole-4,5-dicarboxylic acid, 1-methyl-, diethyl ester, SCHEMBL8352120, KS-00000BKF, 6587AJ, MFCD18651756, ZINC34171565, AKOS015902415, TRA0058033, AJ-87292, AS-31956, CJ-18223, SY013520, Diethyl1-Methylimidazole-4,5-dicarboxylate, AB0056131, DB-061855, TC-308095, FT-0723383, K-1505, MFCD18651756 (97+%), I14-20116, C10H14N2O4, 4724-48-5,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.095g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.232g/mol
Monoisotopic Mass	226.095g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	70.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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