chempirical

5-Bromovaleronitrile

C5H8BrNCAS 5414-21-1162.03 g/mol

Open in Covalent MOL file
NBr
Alkyl halideNitrile

Properties

Molecular formula
C5H8BrN
Molar mass
162.03 g/mol
Exact mass
160.9840 Da
Density
1.3989 g/mL (at 20 °C)
Boiling point
110–111 °C (at 11 Torr)
logP
2.08Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
5414-21-1
SMILES
N#CCCCCBr
InChIKey
NWWWGAKVHCSAEU-UHFFFAOYSA-N
InChI
InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2

Weigh it out

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

Names and synonyms

8 names
  • Pentanenitrile, 5-bromo-
  • Valeronitrile, 5-bromo-
  • 5-Bromopentanenitrile
  • 1-Cyano-4-bromobutane
  • δ-Bromovaleronitrile
  • 1-Bromo-4-cyanobutane
  • NSC 8032
  • 4-Cyanobutyl bromide

Work with 5-Bromovaleronitrile

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

7-Bromoheptanenitrile20965-27-994 % similar 6-Bromohexanenitrile6621-59-694 % similar 4-Bromobutyronitrile5332-06-983 % similar Adiponitrile111-69-365 % similar 3-Bromopropionitrile2417-90-563 % similar Dodecanedinitrile4543-66-261 % similar Octanedinitrile629-40-361 % similar Pimelonitrile646-20-861 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook