Basic information
- CAS
6050-16-4- Standard SMILES
N=C1C=CC(=C2C=CC(=N)C=C2)C=C1- InChIKey
OAPDFXXWYYMLSW-UTVYSCCESA-N- Molecular formula
- C12H10N2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.08439833
Names & identifiers
- Preferred name
- Benzidinediimine
- IUPAC
- 4-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-imine
- English name
- benzidine-4,4'-diimine
- Molecular formula
- C12H10N2
- Molecular weight
- 182.22
Names & synonyms
BenzidinediimineBenzidine-4,4'-diimineSCHEMBL286386274-(4-Imino-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-imine6050-16-42,5-Cyclohexadien-1-imine, 4-(4-imino-2,5-cyclohexadien-1-ylidene)-
Database identifiers
- CAS
6050-16-4- PubChem CID
- 115267
- Nikkaji
- J3.703.382K、J592.635A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 327.6 · 327.6±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 6.52 · 6.52±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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