chempirical

p-Tricyanovinyl-N,N-dimethylaniline

C13H10N4CAS 6673-15-0222.25 g/mol

Open in Covalent MOL file
NNNN
AlkeneNitrileTertiary amine

Properties

Molecular formula
C13H10N4
Molar mass
222.25 g/mol
Exact mass
222.0905 Da
logP
2.08Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
6673-15-0
SMILES
CN(C)C1=CC=C(C=C1)C(=C(C#N)C#N)C#N
InChIKey
KPVQHJLNKIZNIH-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N4/c1-17(2)12-5-3-10(4-6-12)13(9-16)11(7-14)8-15/h3-6H,1-2H3

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Names and synonyms

7 names
  • 2-[4-(Dimethylamino)phenyl]ethene-1,1,2-tricarbonitrile
  • 2-(4-Dimethylaminophenyl)-ethene-1,1,2-tricarbonitrile
  • Ethenetricarbonitrile, [4-(dimethylamino)phenyl]-
  • [4-(Dimethylamino)phenyl]ethene-1,1,2-tricarbonitrile
  • 1,1,2-Ethenetricarbonitrile, 2-[4-(dimethylamino)phenyl]-
  • 1-[4-(Dimethylamino)phenyl]ethene-1,2,2-tricarbonitrile
  • 2-[4-(Dimethylamino)phenyl]-1,1,2-ethylenetricarbonitrile

Reactions

Work with p-Tricyanovinyl-N,N-dimethylaniline

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-(Dimethylamino)benzonitrile1197-19-945 % similar 4,4'-Bis(dimethylamino)thiobenzophenone1226-46-645 % similar Solvent yellow 34492-80-845 % similar 4,4'-Bis(dimethylamino)benzophenone90-94-845 % similar Wurster's blue100-22-144 % similar p-Dimethylaminobenzophenone530-44-944 % similar 4-Dimethylaminoacetophenone2124-31-443 % similar 4-(Dimethylamino)benzoyl chloride4755-50-443 % similar

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

Elsewhere

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