2,2-Dimethylcyclopropanecarbonitrile

C6H9NCAS 5722-11-295.14 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C6H9N
Molar mass
95.14 g/mol
Exact mass
95.0735 Da
Density
0.8536 g/mL (at 20 °C)
Boiling point
154.4–155.5 °C
logP
1.56Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
5722-11-2
SMILES
CC1(C)CC1C#N
InChIKey
CZPCJHBAFHCDRE-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N/c1-6(2)3-5(6)4-7/h5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Cyclopropanecarbonitrile, 2,2-dimethyl-
  • 2,2-Dimethylcyclopropyl cyanide
  • NSC 92356
  • 2,2-Dimethylcyclopropane-1-carbonitrile

Work with 2,2-Dimethylcyclopropanecarbonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butylmalononitrile4210-60-043 % similar Cyclopropyl cyanide5500-21-030 % similar Isobutyronitrile78-82-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclopentanecarbonitrile4254-02-8 5-Hexenenitrile5048-19-1 1-Ethyl-1H-pyrrole617-92-5 2,4-Dimethylpyrrole625-82-1 2,5-Dimethylpyrrole625-84-3

Elsewhere

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