chempirical

Pimelonitrile

C7H10N2CAS 646-20-8122.17 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C7H10N2
Molar mass
122.17 g/mol
Exact mass
122.0844 Da
Density
0.9507 g/mL (at 15 °C)
Melting point
−31.4 °C
Boiling point
155 °C
logP
1.98Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
646-20-8
SMILES
N#CCCCCCC#N
InChIKey
LLEVMYXEJUDBTA-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2

Weigh it out

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

Names and synonyms

5 names
  • Heptanedinitrile
  • Pimelic acid dinitrile
  • 1,5-Dicyanopentane
  • NSC 5392
  • 1,7-Heptanedinitrile

Work with Pimelonitrile

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 Octanedinitrile629-40-3100 % 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

2,4-Dimethylpyridin-3-amine1073-21-8 4-Dimethylaminopyridine1122-58-3 4,6-Dimethyl-3-pyridinamine1193-71-1 4-Pyridineethanamine13258-63-4 2-Ethyl-5-methylpyrazine13360-64-0 2,3,5-Trimethylpyrazine14667-55-1 3-Methyl-2-pyridinemethanamine153936-26-6 2-Ethyl-3-methylpyrazine15707-23-0

Elsewhere

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