Diethyl 2-propylimidazole-4,5-dicarboxylate

C₁₂H₁₈N₂O₄CAS 144689-94-1254.29 g/mol

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Properties

Molecular formula: C₁₂H₁₈N₂O₄
Molar mass: 254.29 g/mol
Exact mass: 254.1267 Da
Melting point: 83–85 °C
logP: 1.72Crippen estimate
Polar surface area: 81.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Identifiers

CAS number

144689-94-1

SMILES

CCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1

InChIKey

ZQPMIDPIXSMOAD-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)

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Names and synonyms

3 names

1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-, 4,5-diethyl ester
1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-, diethyl ester
Diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

Work with Diethyl 2-propylimidazole-4,5-dicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid28860-96-0 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate487048-28-2 N,N-Diethyl-p-phenylenediamine oxalate62637-92-7

Elsewhere

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