1-(9-Chlorophenanthren-3-yl)-2-(dipentylamino)ethanone
Basic information
- CAS
7147-71-9- Standard SMILES
CCCCCN(CCCCC)CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1- InChIKey
MBBMCYJGXOEMSU-UHFFFAOYSA-N- Molecular formula
- C26H32ClNO
- Average molar mass
- 410 g/mol
- Monoisotopic mass
- 409.2172423
Names & identifiers
- Preferred name
- 1-(9-Chlorophenanthren-3-yl)-2-(dipentylamino)ethanone
- IUPAC
- 1-(9-chlorophenanthren-3-yl)-2-(dipentylamino)ethanone
Names & synonyms
7147-71-91-(9-chlorophenanthren-3-yl)-2-(dipentylamino)ethanoneNSC43495DTXSID60286025NSC-434951-(9-Chlorophenanthren-3-yl)-2-(dipentylamino)ethan-1-one
Database identifiers
- CAS
7147-71-9- PubChem CID
- 238906
- DTXSID
DTXSID60286025
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 485
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…