chempirical

Glutaronitrile

C5H6N2CAS 544-13-894.12 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C5H6N2
Molar mass
94.12 g/mol
Exact mass
94.0531 Da
Density
0.9793 g/mL (at 30 °C)
Melting point
−29 °C
Boiling point
286 °C
logP
1.20Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
544-13-8
SMILES
N#CCCCC#N
InChIKey
ZTOMUSMDRMJOTH-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

Weigh it out

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

Names and synonyms

7 names
  • Pentanedinitrile
  • Glutaric acid dinitrile
  • 1,3-Dicyanopropane
  • Glutarodinitrile
  • Glutaric dinitrile
  • 1,5-Pentanedinitrile
  • NSC 3807

Reactions

Work with Glutaronitrile

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

Adiponitrile111-69-383 % similar Dodecanedinitrile4543-66-277 % similar Octanedinitrile629-40-377 % similar Pimelonitrile646-20-877 % similar Succinonitrile110-61-267 % similar 5-Hexynenitrile14918-21-965 % similar Pentanenitrile110-59-859 % similar 4-Bromobutyronitrile5332-06-959 % similar

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

Same formula

1-Vinylimidazole1072-63-5 Methylpyrazine109-08-0 4-Methylpyridazine1120-88-3 3-Methylpyridazine1632-76-4 5-Methylpyrimidine2036-41-1 4-Methylpyrimidine3438-46-8 3-Aminopyridine462-08-8 4-Aminopyridine504-24-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia