Cyclohexyl isocyanide

C₇H₁₁NCAS 931-53-3109.17 g/mol

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Properties

Molecular formula: C₇H₁₁N
Molar mass: 109.17 g/mol
Exact mass: 109.0891 Da
Boiling point: 56–58 °C (at 11 Torr)
logP: 2.24Crippen estimate
Polar surface area: 4.4 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

931-53-3

SMILES

[C-]#[N+]C1CCCCC1

InChIKey

XYZMOVWWVXBHDP-UHFFFAOYSA-N

InChI

InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2

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Names and synonyms

5 names

Cyclohexane, isocyano-
Isocyanocyclohexane
Cyclohexyl isonitrile
Cyclohexaneisonitrile
1-Cyclohexyl isonitrile

Reactions

Cyclohexyl isocyanideproduct

Work with Cyclohexyl isocyanide

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

Cyclohexanol108-93-035 % similar Cyclododecanol1724-39-635 % similar Cycloheptanol502-41-035 % similar Cyclooctanol696-71-935 % similar Bicyclohexyl92-51-333 % similar

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

Same formula

Cyclohexanecarbonitrile766-05-2 1,2,5-Trimethyl-1H-pyrrole930-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook