Cinnamonitrile

C9H7NCAS 4360-47-8129.16 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cinnamonitrile1885-38-7Defined stereoisomer

Similar compounds

4-Fluorocinnamonitrile24654-48-662 % similar 4-Methoxycinnamonitrile28446-68-655 % similar (E)-Stilbene103-30-055 % similar (Z)-Stilbene645-49-855 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-750 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-850 % similar 1,4-Diphenyl-1,3-butadiene886-65-750 % similar β-Methylstyrene637-50-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoquinoline119-65-3 Quinoline91-22-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook