Cyclopropyl cyanide

C₄H₅NCAS 5500-21-067.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅N
Molar mass: 67.09 g/mol
Exact mass: 67.0422 Da
Density: 0.894 g/mL (at 20 °C)
Boiling point: 135.1 °C
logP: 0.92Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor98% of notifiers
H301 Toxic if swallowed96.1% of notifiers
H311 Toxic in contact with skin96.1% of notifiers
H315 Causes skin irritation82.4% of notifiers
H319 Causes serious eye irritation82.4% of notifiers
H330 Fatal if inhaled13.7% of notifiers
H331 Toxic if inhaled86.3% of notifiers
H335 May cause respiratory irritation80.4% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5500-21-0

SMILES

N#CC1CC1

InChIKey

AUQDITHEDVOTCU-UHFFFAOYSA-N

InChI

InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2

Weigh it out

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

Names and synonyms

6 names

Cyclopropanecarbonitrile
Cyclopropanenitrile
Cyclopropylnitrile
Cyanocyclopropane
Cyclopropylcarbonitrile
NSC 60191

Reactions

CYCLOPROPYL CYANIDE (Cyclopropane, cyano-)product

Work with Cyclopropyl cyanide

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

Cyclopentanecarbonitrile4254-02-873 % similar Cyclobutanecarbonitrile4426-11-373 % similar Cyclohexanecarbonitrile766-05-269 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-261 % similar 4-Cyanopiperidine4395-98-661 % similar 4-Piperidinecarbonitrile hydrochloride240401-22-352 % similar 4-Oxocyclohexane-1-carbonitrile34916-10-452 % similar 1,3,6-Hexanetricarbonitrile1772-25-450 % similar

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

Same formula

Allyl cyanide109-75-1 Pyrrole109-97-7 Methacrylonitrile126-98-7 2-Butenenitrile4786-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia