chempirical

1-Naphthalenecarbonitrile

C11H7NCAS 86-53-3153.18 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C11H7N
Molar mass
153.18 g/mol
Exact mass
153.0578 Da
Melting point
37.5 °C
Boiling point
299 °C
logP
2.71Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
86-53-3
SMILES
N#Cc1cccc2ccccc12
InChIKey
YJMNOKOLADGBKA-UHFFFAOYSA-N
InChI
InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H

Weigh it out

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

Names and synonyms

9 names
  • 1-Naphthonitrile
  • α-Naphthonitrile
  • α-Naphthyl cyanide
  • 1-Cyanonaphthalene
  • 1-Naphthylnitrile
  • α-Cyanonaphthalene
  • 1-Naphthalenenitrile
  • 1-Naphthyl cyanide
  • NSC 60230

Work with 1-Naphthalenecarbonitrile

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

Phthalonitrile91-15-657 % similar 9-Phenanthrenecarbonitrile2510-55-656 % similar 2-Chlorobenzonitrile873-32-550 % similar 9-Cyanoanthracene1210-12-448 % similar 1-Isoquinolinecarbonitrile1198-30-747 % similar 2-Bromobenzonitrile2042-37-746 % similar 9,10-Dicyanoanthracene1217-45-446 % similar 1,1'-Binaphthyl604-53-546 % similar

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

Same formula

2-Naphthalenecarbonitrile613-46-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook