chempirical

4-Amino-4'-cyanobiphenyl

C13H10N2CAS 4854-84-6194.24 g/mol

Open in Covalent MOL file
NNH2
NitrilePrimary amine

Properties

Molecular formula
C13H10N2
Molar mass
194.24 g/mol
Exact mass
194.0844 Da
Melting point
157 °C
Boiling point
237–240 °C (at 7 Torr)
logP
2.81Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
4854-84-6
SMILES
N#Cc1ccc(-c2ccc(N)cc2)cc1
InChIKey
CPJQKNUJNWPAPH-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2

Weigh it out

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

Names and synonyms

10 names
  • 4′-Amino[1,1′-biphenyl]-4-carbonitrile
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-amino-
  • 4-Biphenylcarbonitrile, 4′-amino-
  • 4′-Amino-4-biphenylcarbonitrile
  • p-Amino-p′-cyanobiphenyl
  • 4-Amino-4′-cyanobiphenyl
  • NSC 105455
  • (4′-Cyanobiphenyl-4-yl)amine
  • 4′-Amino-1,1′-biphenyl-4-carbonitrile
  • 4-(4-Aminophenyl)benzonitrile

Work with 4-Amino-4'-cyanobiphenyl

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-Aminobenzonitrile873-74-586 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-671 % similar (1,1'-Biphenyl)-4-carbonitrile2920-38-963 % similar 4,4''-Diaminoterphenyl3365-85-357 % similar 1,4-Dicyanobenzene623-26-757 % similar Benzidine92-87-557 % similar 4′-Cyano-4-hydroxybiphenyl19812-93-256 % similar 4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-356 % similar

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

Same formula

Fluorenone hydrazone13629-22-6 5-Methyl-1,10-phenanthroline3002-78-6 2-Phenyl-2H-indazole3682-71-1 α-Phenyl-2-pyridineacetonitrile5005-36-7 Diphenylcarbodiimide622-16-2 2-Phenylbenzimidazole716-79-0 Diazodiphenylmethane883-40-9 9-Aminoacridine90-45-9

Elsewhere

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