Isocyanoethane

C₃H₅NCAS 624-79-355.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₅N
Molar mass: 55.08 g/mol
Exact mass: 55.0422 Da
logP: 0.93Crippen estimate
Polar surface area: 4.4 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H331 Toxic if inhaled50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

624-79-3

SMILES

[C-]#[N+]CC

InChIKey

BPCWCZCOOFUXGQ-UHFFFAOYSA-N

InChI

InChI=1S/C3H5N/c1-3-4-2/h3H2,1H3

Weigh it out

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

Names and synonyms

4 names

Ethane, isocyano-
Ethyl isocyanide
Ethyl carbylamine
Ethyl isonitrile

Reactions

Ethyl isocyanideproduct

Work with Isocyanoethane

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

Butyl isocyanide2769-64-440 % similar 2,2-Diethoxy-1-isocyanoethane15586-32-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propionitrile107-12-0 Propargylamine2450-71-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook