Diethyl 2-propylimidazole-4,5-dicarboxylate

C12H18N2O4CAS 144689-94-1254.29 g/mol

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NOOOONH
Ester

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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Similar compounds

2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester124750-59-068 % similar Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate144689-93-063 % similar 2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-751 % similar Ethyl 3-propyl-1H-pyrazole-5-carboxylate92945-27-245 % similar 2,4-Dimethyl-3,5-dicarbethoxypyrrole2436-79-542 % similar Ethyl 5-bromo-6-methyl-2-oxo-1H-pyrazine-3-carboxylate1269026-22-342 % similar Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-241 % similar 4-Carbethoxy-5-methylimidazole51605-32-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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

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