chempirical

3-Hexenedinitrile

C6H6N2CAS 1119-85-3106.13 g/mol

Open in Covalent MOL file
NN
AlkeneNitrile

Properties

Molecular formula
C6H6N2
Molar mass
106.13 g/mol
Exact mass
106.0531 Da
Melting point
74–76 °C
Boiling point
135–140 °C (at 3 Torr)
logP
1.37Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1119-85-3
SMILES
N#CCC=CCC#N
InChIKey
BSVZXPLUMFUWHW-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2

Weigh it out

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

Names and synonyms

3 names
  • β-Hydromucononitrile
  • 1,4-Dicyano-2-butene
  • NSC 11685

Work with 3-Hexenedinitrile

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

Allyl cyanide109-75-150 % similar Malononitrile109-77-340 % similar Succinonitrile110-61-240 % similar Adiponitrile111-69-335 % similar Propionitrile107-12-033 % similar Chloroacetonitrile107-14-233 % similar Glycolonitrile107-16-433 % similar 4-Oxobutanenitrile3515-93-333 % similar

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

Same formula

Isopropylidenemalononitrile13166-10-4 2-Methyleneglutaronitrile1572-52-7 Vinylpyrazine4177-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook