N-Phenyl-o-phenylenediamine
Properties
- Molecular formula
- C12H12N2
- Molar mass
- 184.24 g/mol
- Exact mass
- 184.1000 Da
- Melting point
- 79.5 °C
- Boiling point
- 313 °C
- logP
- 3.01Crippen estimate
- Polar surface area
- 38.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302+H332 Harmful if swallowed or if inhaled44% of notifiers
- H302 Harmful if swallowed97.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation10.7% of notifiers
- H332 Harmful if inhaled92.9% of notifiers
Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
534-85-0SMILES
Nc1ccccc1Nc1ccccc1InChIKey
NFCPRRWCTNLGSN-UHFFFAOYSA-NInChI
InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
23 names · show all
- 1,2-Benzenediamine, N1-phenyl-
- o-Phenylenediamine, N-phenyl-
- 1,2-Benzenediamine, N-phenyl-
- N1-Phenyl-1,2-benzenediamine
- C.I. 50005
- o-Semidine
- o-Aminodiphenylamine
- 2-Aminodiphenylamine
- N-Phenyl-1,2-benzenediamine
- 2-Anilinoaniline
- N-Phenyl-1,2-phenylenediamine
- N-Phenyl-1,2-diaminobenzene
- NSC 18731
- NSC 33960
- N-Phenyl-N-(2-aminophenyl)amine
- 2-(N-Phenylamino)aniline
- 2-(Phenylamino)aniline
- N-Phenyl-ortho-phenylenediamine
- 2-Amino-N-phenylaniline
- N′-Phenylbenzene-1,2-diamine
- N1-Phenylbenzene-1,2-diamine
- 1-N-Phenylbenzene-1,2-diamine
- 2-N-Phenylbenzene-1,2-diamine
Work with N-Phenyl-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
N1-(4-Chlorophenyl)-1,2-benzenediamine68817-71-068 % similar
2,4-Diaminodiphenylamine136-17-462 % similar
N-Methyl-1,2-phenylenediamine4760-34-352 % similar
2-Bromo-N-phenylaniline61613-22-752 % similar
Diphenylamine122-39-450 % similar
N-Phenylnaphthalen-1-amine90-30-248 % similar
N,N′-Diphenyl-p-phenylenediamine74-31-748 % similar
N-Methyl-o-phenylenediamine dihydrochloride25148-68-947 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.