Isopropylidenemalononitrile

C6H6N2CAS 13166-10-4106.13 g/mol

Open in Covalent MOL file
NN
AlkeneNitrile

Properties

Molecular formula
C6H6N2
Molar mass
106.13 g/mol
Exact mass
106.0531 Da
logP
1.37Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13166-10-4
SMILES
CC(=C(C#N)C#N)C
InChIKey
NVBHWAQBDJEGEO-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2/c1-5(2)6(3-7)4-8/h1-2H3

Weigh it out

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

Work with Isopropylidenemalononitrile

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

Tetracyanoethylene670-54-253 % similar 2-[Di(methylthio)methylidene]malononitrile5147-80-841 % similar Tetracyanoquinodimethane1518-16-740 % similar 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-638 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-338 % similar Methacrylonitrile126-98-738 % similar 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane29261-33-436 % similar 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hexenedinitrile1119-85-3 2-Methyleneglutaronitrile1572-52-7 1-Methylpyrrole-2-carbonitrile34884-10-1 Vinylpyrazine4177-16-6

Elsewhere

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