1-(9-Bromophenanthren-3-yl)-2-(didecylamino)ethanone
Basic information
- CAS
4954-65-8- Standard SMILES
CCCCCCCCCCN(CCCCCCCCCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1- InChIKey
ZVVFLMVRRDTAAH-UHFFFAOYSA-N- Molecular formula
- C36H52BrNO
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 593.32323
Names & identifiers
- Preferred name
- 1-(9-Bromophenanthren-3-yl)-2-(didecylamino)ethanone
- IUPAC
- 1-(9-bromophenanthren-3-yl)-2-(didecylamino)ethanone
Names & synonyms
4954-65-81-(9-bromophenanthren-3-yl)-2-(didecylamino)ethanoneDTXSID003282511-(9-Bromophenanthren-3-yl)-2-(didecylamino)ethan-1-one
Database identifiers
- CAS
4954-65-8- PubChem CID
- 408404
- DTXSID
DTXSID00328251
Properties
Computed structural properties
- XLogP
- 13.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 618
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Compound notes
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