3,3'-Diacetylbenzidine
Basic information
- CAS
98805-29-9- Standard SMILES
CC(=O)c1cc(-c2ccc(N)c(C(C)=O)c2)ccc1N- InChIKey
OGWSSNXNTQBRKY-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 3,3'-Diacetylbenzidine
- IUPAC
- 1-[5-(3-acetyl-4-aminophenyl)-2-aminophenyl]ethanone
- English name
- 33DIACETYLBENZIDINE
- Molecular formula
- C16H16N2O2
- Molecular weight
- 268.31
Names & synonyms
98805-29-93,3'-DiacetylbenzidineEthanone, 1,1'-(4,4'-diamino(1,1'-biphenyl)-3,3'-diyl)bis-SCHEMBL3618305DTXSID102438201,1'-(4,4'-Diamino[1,1'-biphenyl]-3,3'-diyl)di(ethan-1-one)33DIACETYLBENZIDINE1-[5-(3-acetyl-4-aminophenyl)-2-aminophenyl]ethanoneEthanone, 1,1'-(4,4'-diamino[1,1'-biphenyl]-3,3'-diyl)bis- (9CI)
Database identifiers
- CAS
98805-29-9- PubChem CID
- 150501
- DTXSID
DTXSID10243820- Nikkaji
- J1.285.710A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 487.3 · 487.3±45.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 2.17 · 2.17±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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