Basic information
- CAS
22295-83-6- Standard SMILES
CCCCCCN(CCCCCC)C1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
XHFSZGDIDZIAEA-UHFFFAOYSA-N- Molecular formula
- C22H30ClNO2
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1965069
Names & identifiers
- Preferred name
- 2-Chloro-3-(dihexylamino)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(dihexylamino)naphthalene-1,4-dione
Names & synonyms
22295-83-62-chloro-3-(dihexylamino)naphthalene-1,4-dioneNSC106714DTXSID40295998NSC-106714
Database identifiers
- CAS
22295-83-6- PubChem CID
- 267463
- DTXSID
DTXSID40295998
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…