Ethyl imidazole-4-carboxylate

C₆H₈N₂O₂CAS 23785-21-9140.14 g/mol

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Properties

Molecular formula: C₆H₈N₂O₂
Molar mass: 140.14 g/mol
Exact mass: 140.0586 Da
logP: 0.59Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23785-21-9

SMILES

CCOC(=O)C1=CN=CN1

InChIKey

KLWYPRNPRNPORS-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8)

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Names and synonyms

1 names

Ethyl 4(5)-imidazolecarboxylate

Work with Ethyl imidazole-4-carboxylate

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

Methyl 1H-imidazole-5-carboxylate17325-26-762 % similar Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-655 % similar Ethyl pyrrole-2-carboxylate2199-43-154 % similar Ethyl 1H-pyrazole-4-carboxylate37622-90-553 % similar Ethyl 1H-pyrazole-3-carboxylate5932-27-453 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-451 % similar Ethyl 4-formyl-1H-pyrrole-2-carboxylate7126-57-051 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-9 4,6-Diaminoresorcinol15791-87-4 Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-2 Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-1 3-Imidazol-1-yl-propionic acid18999-45-6 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1 2,4-Dimethoxypyrimidine3551-55-1

Elsewhere

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