1,1'-Azobis(cyclohexanecarbonitrile)

C₁₄H₂₀N₄CAS 2094-98-6244.34 g/mol

Open in Covalent MOL file

Azo Nitrile

Properties

Molecular formula: C₁₄H₂₀N₄
Molar mass: 244.34 g/mol
Exact mass: 244.1688 Da
Melting point: 116 °C
logP: 3.89Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H242 Heating may cause a fire98.8% of notifiers
H315 Causes skin irritation48.2% of notifiers
H319 Causes serious eye irritation50.6% of notifiers
H332 Harmful if inhaled49.4% of notifiers
H335 May cause respiratory irritation98.8% of notifiers
H411 Toxic to aquatic life with long lasting effects49.4% of notifiers

Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

2094-98-6

SMILES

N#CC1(N=NC2(C#N)CCCCC2)CCCCC1

InChIKey

KYIKRXIYLAGAKQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2

Weigh it out

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

Names and synonyms

22 names · show all

Abcn
Cyclohexanecarbonitrile, 1,1′-(1,2-diazenediyl)bis-
Cyclohexanecarbonitrile, 1,1′-azodi-
Cyclohexanecarbonitrile, 1,1′-azobis-
1,1′-Azobis[cyclohexanecarbonitrile]
1,1′-Azobis(cyclohexanenitrile)
1,1′-Azodicyclohexanecarbonitrile
1-Azo-1-cyanocyclohexane
Azobis(1-cyanocyclohexane)
1,1′-Azobis[1-cyanocyclohexane]
1,1′-Azobis(1-cyclohexanecarbonitrile)
Azocyclohexane-1,1′-dinitrile
Vazo 88
V 40
V 40 (Initiator)
1,1′-Azodi(hexahydrobenzonitrile)
N,N-Azobis(cyclohexanecarbonitrile)
ACHN
1,1′-Azobis(cyclohexane-1-carbonitrile)
ACCN
1,1′-Azobis(cyanocyclohexane)
V 88

Work with 1,1'-Azobis(cyclohexanecarbonitrile)

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

1-Hydroxycyclohexanecarbonitrile931-97-546 % similar 4,4'-Azobis(4-cyano-1-pentanol)4693-47-434 % similar 1-Cyanocyclohexaneacetic acid133481-09-133 % similar 1-Phenylcyclopentanecarbonitrile77-57-633 % similar 1,1'-Ethynylenedicyclohexanol78-54-633 % similar Azobisisobutyronitrile78-67-132 % similar 2,2'-Azobis(2-methylbutyronitrile)13472-08-731 % similar

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

Elsewhere

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