Basic information
- CAS
13776-51-7- Standard SMILES
c1ccc(Nc2cccc(Nc3ccccc3)c2)cc1- InChIKey
WULZIURTBVLJRF-UHFFFAOYSA-N- Molecular formula
- C18H16N2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.13134852
Names & identifiers
- Preferred name
- N1,N3-Diphenyl-1,3-benzenediamine
- IUPAC
- 1-N,3-N-diphenylbenzene-1,3-diamine
- English name
- m-Phenylenediamine, N,N-diphenyl-
- Molecular formula
- C18H16N2
- Molecular weight
- 260.33
Names & synonyms
5905-36-2N1,N3-Diphenyl-1,3-benzenediamineRefChem:1092156N1,N3-diphenylbenzene-1,3-diamine1-N,3-N-diphenylbenzene-1,3-diamineN,N'-Diphenyl-m-phenylenediamineN~1~,N~3~-diphenyl-1,3-benzenediamineMLS000756258MFCD00971912SMR000224804Diphenyl-.beta.-phenylenediamineNSC56931
Show more names
N,N-diphenyl-1,3-benzenediamineN,N'-Diphenylbenzene-1,3-diaminem-Phenylenediamine, N,N-diphenyl-1,3-Benzenediamine, N1,N3-diphenyl-
DiphenylmetaphenylendiaminNCIOpen2_002447Oprea1_381437SCHEMBL678299(3-anilinophenyl)-phenyl-aminecid_245216CHEMBL1364072m-Phenylenediamine,N'-diphenyl-
Database identifiers
- CAS
13776-51-7、5905-36-2- PubChem CID
- 245216
- DTXSID
DTXSID80929886- ChEMBL
CHEMBL1364072- EC Number
- 611-787-0
- Nikkaji
- J802.387E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 226 °C · 226 °C(Press: 0.975 Torr)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 1.13 · 1.13±0.30(Predicted)
Chemistry & industry
Suppliers22 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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