2-Butenenitrile
Properties
- Molecular formula
- C4H5N
- Molar mass
- 67.09 g/mol
- Exact mass
- 67.0422 Da
- Boiling point
- 120.5 °C
- Flash point
- 16 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor99.5% of notifiers
- H301+H331 Toxic if swallowed or if inhaled49.8% of notifiers
- H301 Toxic if swallowed49.8% of notifiers
- H302 Harmful if swallowed49.8% of notifiers
- H315 Causes skin irritation19.1% of notifiers
- H319 Causes serious eye irritation19.1% of notifiers
- H331 Toxic if inhaled49.8% of notifiers
- H332 Harmful if inhaled30.6% of notifiers
- H335 May cause respiratory irritation18.7% of notifiers
- H361d Suspected of damaging the unborn child49.8% of notifiers
- H370 Causes damage to organs49.8% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure49.8% of notifiers
Aggregated from 209 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
4786-20-3SMILES
CC=CC#NInChIKey
NKKMVIVFRUYPLQ-UHFFFAOYSA-NInChI
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Crotononitrile
- 1-Cyanopropene
- 1-Propenyl cyanide
- Crotonic nitrile
- β-Methylacrylonitrile
- NSC 165574
Work with 2-Butenenitrile
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
(2E)-2-Butenedinitrile764-42-157 % similar
3-Methoxy-2-propenenitrile60838-50-843 % similar
3-Ethoxy-2-propenenitrile61310-53-038 % similar
4,4,4-Trifluoro-2-butenenitrile406-86-036 % similar
Cinnamonitrile1885-38-733 % similar
Cinnamonitrile4360-47-833 % similar
(2E)-3-Cyclopentylprop-2-enenitrile591769-05-033 % similar
Acrylonitrile107-13-132 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds