2-Methyl-1H-imidazole-4-carboxaldehyde

C₅H₆N₂OCAS 35034-22-1110.12 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₅H₆N₂O
Molar mass: 110.12 g/mol
Exact mass: 110.0480 Da
logP: 0.53Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed75% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage25% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

35034-22-1

SMILES

CC1=NC=C(N1)C=O

InChIKey

ZWULFIBGPXWGFG-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O/c1-4-6-2-5(3-8)7-4/h2-3H,1H3,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Methyl-1H-imidazole-4-carbaldehyde

Work with 2-Methyl-1H-imidazole-4-carboxaldehyde

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-Butyl-1H-imidazole-5-carboxaldehyde68282-49-547 % similar 2,4-Dimethylimidazole930-62-146 % similar 5-Iodo-2-methyl-1H-imidazole73746-45-945 % similar 5-Bromo-2-methyl-1H-imidazole16265-11-543 % similar 2-Methyl-5-nitroimidazole696-23-140 % similar 2-Methyl-5-nitroimidazole88054-22-240 % similar Imidazole-4-carboxaldehyde3034-50-239 % similar 2-Methyl-1,4-dihydropyrimidin-4-one19875-04-836 % similar

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methyl-3(2H)-pyridazinone13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

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