1-Cyanoimidazole

C₄H₃N₃CAS 36289-36-893.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₃N₃
Molar mass: 93.09 g/mol
Exact mass: 93.0327 Da
logP: 0.21Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

36289-36-8

SMILES

C1=CN(C=N1)C#N

InChIKey

SLPWXZZHNSOZPX-UHFFFAOYSA-N

InChI

InChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H

Weigh it out

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

Names and synonyms

1 names

N-Cyanoimidazole

Work with 1-Cyanoimidazole

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

Imidazol-1-yl-acetonitrile98873-55-341 % similar 4-(1H-Imidazol-1-yl)benzonitrile25372-03-635 % similar 1-Methylimidazole616-47-735 % similar 1-Phenylimidazole7164-98-933 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-332 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-632 % similar 1-Vinylimidazole1072-63-531 % similar (Trimethylsilyl)imidazole18156-74-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrazole-4-carbonitrile31108-57-3 1H-Imidazole-5-carbonitrile57090-88-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook