Cyclobutanecarbonitrile
Properties
- Molecular formula
- C5H7N
- Molar mass
- 81.12 g/mol
- Exact mass
- 81.0578 Da
- Density
- 0.868 g/mL (at 17 °C)
- Boiling point
- 149.6 °C
- logP
- 1.31Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor88.9% of notifiers
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled11.1% of notifiers
- H301 Toxic if swallowed22.2% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H311 Toxic in contact with skin11.1% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H319 Causes serious eye irritation11.1% of notifiers
- H331 Toxic if inhaled22.2% of notifiers
- H332 Harmful if inhaled55.6% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
4426-11-3SMILES
N#CC1CCC1InChIKey
GFBLFDSCAKHHGX-UHFFFAOYSA-NInChI
InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Cyclobutanenitrile
- Cyanocyclobutane
Work with Cyclobutanecarbonitrile
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
Cyclopentanecarbonitrile4254-02-887 % similar
Cyclohexanecarbonitrile766-05-281 % similar
Cyclopropyl cyanide5500-21-073 % similar
1,3,6-Hexanetricarbonitrile1772-25-459 % similar
Tetrahydro-2H-pyran-4-carbonitrile4295-99-255 % similar
4-Cyanopiperidine4395-98-655 % similar
4-Piperidinecarbonitrile hydrochloride240401-22-348 % similar
4-Oxocyclohexane-1-carbonitrile34916-10-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.