5-Hexenenitrile

C₆H₉NCAS 5048-19-195.14 g/mol

Open in Covalent MOL file

Alkene Nitrile

Properties

Molecular formula: C₆H₉N
Molar mass: 95.14 g/mol
Exact mass: 95.0735 Da
logP: 1.87Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5048-19-1

SMILES

C=CCCCC#N

InChIKey

UNAQSRLBVVDYGP-UHFFFAOYSA-N

InChI

InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2

Weigh it out

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

Work with 5-Hexenenitrile

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

Adiponitrile111-69-353 % similar 1,6-Heptadiene3070-53-953 % similar 1,7-Octadiene3710-30-353 % similar Glutaronitrile544-13-853 % similar Allyl cyanide109-75-150 % similar 1,9-Decadiene1647-16-150 % similar Nonanedinitrile1675-69-050 % similar Sebaconitrile1871-96-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyclopentanecarbonitrile4254-02-8 2,2-Dimethylcyclopropanecarbonitrile5722-11-2 1-Ethyl-1H-pyrrole617-92-5 2,4-Dimethylpyrrole625-82-1 2,5-Dimethylpyrrole625-84-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook