Basic information
- CAS
86614-18-8- Standard SMILES
CC(C)NC1=CC(=O)C(=O)c2ccccc21- InChIKey
ISSFZUYNUYYULG-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 4-[(Propan-2-yl)amino]naphthalene-1,2-dione
- IUPAC
- 4-(propan-2-ylamino)naphthalene-1,2-dione
Names & synonyms
CHEMBL363499486614-18-84-[(Propan-2-yl)amino]naphthalene-1,2-dioneDTXSID20513945BDBM50133348PD138655
Database identifiers
- CAS
86614-18-8- PubChem CID
- 12957134
- DTXSID
DTXSID20513945- ChEMBL
CHEMBL3634994- Nikkaji
- J338.509D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…