chempirical

N1,N1-Bis(4-aminophenyl)-1,4-benzenediamine

C18H18N4CAS 5981-09-9290.37 g/mol

Open in Covalent MOL file
NH2NH2NNH2
Primary amineTertiary amine

Properties

Molecular formula
C18H18N4
Molar mass
290.37 g/mol
Exact mass
290.1531 Da
Melting point
244.92 °C
logP
3.90Crippen estimate
Polar surface area
81.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
5981-09-9
SMILES
Nc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIKey
SNLFYGIUTYKKOE-UHFFFAOYSA-N
InChI
InChI=1S/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2

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Names and synonyms

7 names
  • 1,4-Benzenediamine, N1,N1-bis(4-aminophenyl)-
  • Triphenylamine, 4,4′,4′′-triamino-
  • 1,4-Benzenediamine, N,N-bis(4-aminophenyl)-
  • Tris(p-aminophenyl)amine
  • Tris(4-aminophenyl)amine
  • 4,4′,4′′-Triaminotriphenylamine
  • N,N-Bis(4-aminophenyl)-1,4-benzenediamine

Work with N1,N1-Bis(4-aminophenyl)-1,4-benzenediamine

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

P-Phenylenediamine106-50-360 % similar 4-Chloroaniline106-47-850 % similar p-Amino-N,N-dimethylaniline monohydrochloride2052-46-250 % similar N,N-Dimethyl-P-phenylenediamine dihydrochloride536-46-950 % similar 1,4-Diaminobenzene dihydrochloride624-18-050 % similar Benzidine92-87-550 % similar 4-Morpholinoaniline2524-67-646 % similar 4,4′-Ethylenedianiline621-95-445 % similar

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

Elsewhere

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