Hexaaminobenzene

C6H12N6CAS 4444-26-2168.20 g/mol

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H2NH2NNH2NH2NH2H2N
Primary amine

Properties

Molecular formula
C6H12N6
Molar mass
168.20 g/mol
Exact mass
168.1123 Da
Melting point
255 °C (decomposes)
logP
-0.82Crippen estimate
Polar surface area
156.1 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
0

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
4444-26-2
SMILES
Nc1c(N)c(N)c(N)c(N)c1N
InChIKey
OWSZUKMVEBFJMZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H2

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Names and synonyms

3 names
  • 1,2,3,4,5,6-Benzenehexamine
  • Benzenehexamine
  • Benzene, hexaamino-

Work with Hexaaminobenzene

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

2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-742 % similar 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-242 % similar Pentachloroaniline527-20-838 % similar Pentafluoroaniline771-60-838 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-636 % similar 4,4′-Diaminooctafluorobiphenyl1038-66-033 % similar 3,6-Dibromo-1,2-benzenediamine69272-50-033 % similar 2,6-Dibromoaniline608-30-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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