Basic information
- CAS
6699-11-2- Standard SMILES
CCC(=O)C(CC)(CCCN(C)C)c1cccc2ccccc12- InChIKey
VNEWLBTYRSJDAS-UHFFFAOYSA-N- Molecular formula
- C21H29NO
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.22491455
Names & identifiers
- Preferred name
- 3-Heptanone, 7-(dimethylamino)-4-ethyl-4-(1-naphthyl)-
- IUPAC
- 7-(dimethylamino)-4-ethyl-4-naphthalen-1-ylheptan-3-one
- English name
- 7-(Dimethylamino)-4-ethyl-4-(1-naphthalenyl)-3-heptanone
- Molecular weight
- 0
Names & synonyms
6699-11-23-HEPTANONE, 7-(DIMETHYLAMINO)-4-ETHYL-4-(1-NAPHTHYL)-RefChem:10678877-(Dimethylamino)-4-ethyl-4-(1-naphthyl)-3-heptanoneBRN 2758947DTXSID909857967-(dimethylamino)-4-ethyl-4-(naphthalen-1-yl)heptan-3-one7-(Dimethylamino)-4-ethyl-4-(1-naphthalenyl)-3-heptanone
Database identifiers
- CAS
6699-11-2- PubChem CID
- 23159
- DTXSID
DTXSID90985796- Nikkaji
- J49.368F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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