Methyl 1-methyl-1H-imidazole-5-carboxylate

C₆H₈N₂O₂CAS 17289-20-2140.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈N₂O₂
Molar mass: 140.14 g/mol
Exact mass: 140.0586 Da
logP: 0.21Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from 5 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

17289-20-2

SMILES

CN1C=NC=C1C(=O)OC

InChIKey

AKDPLDCXQNEMCL-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Methyl 1-methylimidazole-5-carboxylate

Work with Methyl 1-methyl-1H-imidazole-5-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

1-Methyl-1H-imidazole-5-carboxylic acid41806-40-054 % similar 1-Methyl-1H-imidazole-5-carbaldehyde39021-62-038 % similar 1-Methyl-5-aminomethylimidazole486414-86-234 % 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-pyrazole-3-carboxylate17827-61-1 3-Imidazol-1-yl-propionic acid18999-45-6 Ethyl imidazole-4-carboxylate23785-21-9 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1 2,4-Dimethoxypyrimidine3551-55-1

Elsewhere

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