8-(Dibutylamino)-1-(phenanthren-9-yl)octan-1-ol
Basic information
- CAS
7251-93-6- Standard SMILES
CCCCN(CCCC)CCCCCCCC(O)c1cc2ccccc2c2ccccc12- InChIKey
JQDSFXVGSDWEJS-UHFFFAOYSA-N- Molecular formula
- C30H43NO
- Average molar mass
- 433.7 g/mol
- Monoisotopic mass
- 433.334465
Names & identifiers
- Preferred name
- 8-(Dibutylamino)-1-(phenanthren-9-yl)octan-1-ol
- IUPAC
- 8-(dibutylamino)-1-phenanthren-9-yloctan-1-ol
Names & synonyms
7251-93-68-(dibutylamino)-1-(phenanthren-9-yl)octan-1-olNSC13646DTXSID10279664NSC-13646
Database identifiers
- CAS
7251-93-6- PubChem CID
- 224823
- DTXSID
DTXSID10279664
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 471
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Compound notes
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