1-Cyanoethyl-2-methylimidazole

C7H9N3CAS 23996-55-6135.17 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C7H9N3
Molar mass
135.17 g/mol
Exact mass
135.0796 Da
Melting point
55–56.5 °C
logP
1.11Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 32 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
23996-55-6
SMILES
Cc1nccn1CCC#N
InChIKey
SESYNEDUKZDRJL-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2,5H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 1H-Imidazole-1-propanenitrile, 2-methyl-
  • Imidazole-1-propionitrile, 2-methyl-
  • 2-Methyl-1H-imidazole-1-propanenitrile
  • 1-(2-Cyanoethyl)-2-methylimidazole
  • 1-(β-Cyanoethyl)-2-methylimidazole
  • 2-Methyl-1-imidazolepropanenitrile
  • Kalpur PAC
  • 2MZ-CN
  • Curezol 2MZ-CN
  • CN 25
  • CN 25 (vulcanizing agent)
  • Curezol 2PN-ON
  • Curezol 2PN-CN
  • 1-(2-Cynnoethyl)-2-methyl imidazole

Work with 1-Cyanoethyl-2-methylimidazole

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-Propyl-2-methylimidazole33214-18-563 % similar 2-Methyl-1H-imidazole-1-ethanol1615-15-256 % similar 2Pz-cn23996-12-555 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-854 % similar 2-Methyl-1H-imidazole-1-propanamine2258-21-153 % similar N-Ethyl-2-methylimidazole21202-52-852 % similar 1-Benzyl-2-methylimidazole13750-62-449 % similar 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3-cyano-4,5-dimethylpyrrole21392-51-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook