chempirical

O-Phenylenediamine

C6H8N2CAS 95-54-5108.14 g/mol

Open in Covalent MOL file
H2NH2N
Primary amine

Properties

Molecular formula
C6H8N2
Molar mass
108.14 g/mol
Exact mass
108.0687 Da
Melting point
103–104 °C
Boiling point
256–258 °C
logP
0.85Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
95-54-5
SMILES
Nc1ccccc1N
InChIKey
GEYOCULIXLDCMW-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2

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Names and synonyms

15 names · show all
  • 1,2-Benzenediamine
  • C.I. 76010
  • C.I. Oxidation base 16
  • o-Diaminobenzene
  • Orthamine
  • 1,2-Diaminobenzene
  • 1,2-Phenylenediamine
  • o-Benzenediamine
  • 2-Aminoaniline
  • o-Aminoaniline
  • IK 3 (amine)
  • o-Aminophenylamine
  • IK 3
  • NSC 5354
  • OPDA

Reactions

Work with O-Phenylenediamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromoaniline615-36-159 % similar 1,5-Diaminonaphthalene2243-62-156 % similar Bis(2-aminophenyl) disulfide1141-88-456 % similar 2-Aminothiophenol137-07-556 % similar 2-Fluoroaniline348-54-956 % similar 2-Iodoaniline615-43-056 % similar 2-Chloroaniline95-51-256 % similar O-Toluidine95-53-456 % similar

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

Same formula

3-Cyclopropyl-1H-pyrazole100114-57-6 Phenylhydrazine100-63-0 P-Phenylenediamine106-50-3 M-Phenylenediamine108-45-2 2,6-Dimethylpyrazine108-50-9 Adiponitrile111-69-3 4-(Methylamino)pyridine1121-58-0 2,5-Dimethylpyrazine123-32-0

Elsewhere

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