AG007BWQ

35445-32-0 | Ethyl 1,4-dimethyl-1H-imidazole-5-carboxylate

AG007BWQ

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CAS Number	35445-32-0
Catalog Number	AG007BWQ(AGN-PC-0NJW3X)
Chemical Name	Ethyl 1,4-dimethyl-1H-imidazole-5-carboxylate
IUPAC Name	ethyl 3,5-dimethylimidazole-4-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-6(2)9-5-10(7)3/h5H,4H2,1-3H3
InChI Key	KJDJAZWOHDBZSZ-UHFFFAOYSA-N
MDL Number	MFCD08703647
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	CCOC(=O)C1=C(C)N=CN1C
Synonyms	ETHYL 1,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXYLATE, 35445-32-0, 1,4-dimethyl-5-carbethoxyimidazole, AK104917, 1H-Imidazole-5-carboxylic acid, 1,4-dimethyl-, ethyl ester, SCHEMBL5937208, CTK8C3961, KS-00000QPA, DTXSID00506850, KJDJAZWOHDBZSZ-UHFFFAOYSA-N, 4418AB, ANW-70869, FCH863080, MFCD08703647, ZINC39268547, AKOS006290265, DS-4424, AJ-99512, AX8239125, TC-159614, FT-0753039, C8H12N2O2, Ethyl1,4-dimethyl-1H-imidazole-5-carboxylate, ETHYL 3,5-DIMETHYLIMIDAZOLE-4-CARBOXYLATE,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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