chempirical

Octanedinitrile

C8H12N2CAS 629-40-3136.20 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C8H12N2
Molar mass
136.20 g/mol
Exact mass
136.1000 Da
Density
0.94 g/mL (at 22 °C)
Melting point
−3.5 °C
Boiling point
185 °C
logP
2.37Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
629-40-3
SMILES
N#CCCCCCCC#N
InChIKey
BTNXBLUGMAMSSH-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2

Weigh it out

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

Names and synonyms

6 names
  • Suberonitrile
  • 1,6-Dicyanohexane
  • Suberic acid dinitrile
  • D 7800-8
  • NSC 51242
  • Hexamethylene dicyanide

Work with Octanedinitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dodecanedinitrile4543-66-2100 % similar Pimelonitrile646-20-8100 % similar Adiponitrile111-69-392 % similar Octanenitrile124-12-967 % similar Decanenitrile1975-78-667 % similar 7-Bromoheptanenitrile20965-27-967 % similar Nonanenitrile2243-27-867 % similar Undecanenitrile2244-07-767 % similar

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

Same formula

Tetramethylpyrazine1124-11-4 2,5-Diethylpyrazine13238-84-1 2-(4-Aminophenyl)ethylamine13472-00-9 2-Ethyl-3,5-dimethylpyrazine13925-07-0 M-Xylylenediamine1477-55-0 2,3-Diethylpyrazine15707-24-1 2,3-Dimethyl-5-ethylpyrazine15707-34-3 2-Methyl-3-propylpyrazine15986-80-8

Elsewhere

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