chempirical

Cinnamonitrile

C9H7NCAS 4360-47-8129.16 g/mol

Open in Covalent MOL file
N
AlkeneNitrile

Properties

Molecular formula
C9H7N
Molar mass
129.16 g/mol
Exact mass
129.0578 Da
Density
1.031 g/mL (at 20 °C)
Melting point
20.5 °C
Boiling point
134–136 °C (at 12 Torr)
logP
2.22Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
4360-47-8
SMILES
N#CC=Cc1ccccc1
InChIKey
ZWKNLRXFUTWSOY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H

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Names and synonyms

12 names
  • 2-Propenenitrile, 3-phenyl-
  • 1-Cyano-2-phenylethene
  • 1-Cyano-2-phenylethylene
  • β-Phenylacrylonitrile
  • 3-Phenylpropenenitrile
  • NSC 42118
  • NSC 49137
  • Cinnamyl nitrile
  • 3-Phenyl-2-propenenitrile
  • Styryl cyanide
  • β-Cyanostyrene
  • 3-Phenylacrylonitrile

Work with Cinnamonitrile

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

4-Methoxycinnamonitrile28446-68-655 % similar (E)-Stilbene103-30-055 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-750 % similar β-Methylstyrene637-50-346 % similar trans-Propenylbenzene873-66-546 % similar Cinnamyl chloride2687-12-944 % similar β-Bromostyrene103-64-044 % similar 4-Styrylpyridine103-31-142 % similar

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

Same formula

Isoquinoline119-65-3 Cinnamonitrile1885-38-7 Quinoline91-22-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook