2-(Dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-ol
Basic information
- CAS
5427-78-1- Standard SMILES
CCCCN(CCCC)C(C)C(O)c1ccc2c3c(cccc13)CC2- InChIKey
KXMDAFJWLTZHEE-UHFFFAOYSA-N- Molecular formula
- C23H33NO
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.25621468
Names & identifiers
- Preferred name
- 2-(Dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-ol
- IUPAC
- 2-(dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-ol
Names & synonyms
5427-78-12-(dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-olNSC13102DTXSID90279541NSC-13102
Database identifiers
- CAS
5427-78-1- PubChem CID
- 224548
- DTXSID
DTXSID90279541
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
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Compound notes
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