Basic information
- CAS
51458-66-3- Standard SMILES
Nc1ccc(C(=O)c2cccc(N)c2)cc1- InChIKey
YKNMIGJJXKBHJE-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.094963
Names & identifiers
- Preferred name
- (3-Aminophenyl)(4-aminophenyl)methanone
- IUPAC
- (3-aminophenyl)-(4-aminophenyl)methanone
- English name
- (3-Aminophenyl)(4-aminophenyl)methanone
- Molecular formula
- C13H12N2O
- Molecular weight
- 212.25
Names & synonyms
(3-Aminophenyl)(4-aminophenyl)methanone51458-66-3Methanone, (3-aminophenyl)(4-aminophenyl)-3,4'-diaminobenzophenone3,4'-diamino benzophenoneSCHEMBL127545CHEMBL167913DTXSID70199435YKNMIGJJXKBHJE-UHFFFAOYSA-N
Database identifiers
- CAS
51458-66-3- PubChem CID
- 148536
- DTXSID
DTXSID70199435- ChEMBL
CHEMBL167913- Nikkaji
- J1.340.736C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
3 records
Compound notes
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