Cyclopropylacetonitrile

C₅H₇NCAS 6542-60-581.12 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₅H₇N
Molar mass: 81.12 g/mol
Exact mass: 81.0578 Da
logP: 1.31Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H311 Toxic in contact with skin16.3% of notifiers
H341 Suspected of causing genetic defects10.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P262, P264, P270, P280, P302+P352, P303+P361+P353, P316, P318, P321, P361+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

6542-60-5

SMILES

C1CC1CC#N

InChIKey

FAUQRRGKJKMEIW-UHFFFAOYSA-N

InChI

InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2

Weigh it out

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

Work with Cyclopropylacetonitrile

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

3-Hydroxypentanedinitrile13880-89-245 % similar Isovaleronitrile625-28-545 % similar 3,3-Dimethoxypropionitrile57597-62-339 % similar 3-Cyclopropyl-3-oxopropanenitrile118431-88-236 % similar (S)-4-Chloro-3-hydroxybutyronitrile127913-44-436 % similar 3,3-Diethoxypropiononitrile2032-34-036 % similar β-Phenylbenzenepropanenitrile2286-54-636 % similar (3R)-4-Chloro-3-hydroxybutanenitrile84367-31-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclobutanecarbonitrile4426-11-3 3-Methylpyrrole616-43-3 1-Methylpyrrole96-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook