Basic information
- CAS
3215-88-1- Standard SMILES
Cc1cccc(C(=O)CCC(C)(C)C(c2cccc(C)c2)N(C)C)c1- InChIKey
PBMZNCPYXLIKTF-UHFFFAOYSA-N- Molecular formula
- C23H31NO
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.24056461
Names & identifiers
- Preferred name
- Ketone, 3,3-dimethyl-4-(dimethylamino)-4-(m-tolyl)butyl m-tolyl
- IUPAC
- 5-(dimethylamino)-4,4-dimethyl-1,5-bis(3-methylphenyl)pentan-1-one
- English name
- ω-(Dimethylamino)-3',γ,γ-trimethyl-ω-(m-tolyl)valerophenone
- Molecular formula
- C23H31NO
- Molecular weight
- 337.5
Names & synonyms
3215-88-1KETONE, 3,3-DIMETHYL-4-(DIMETHYLAMINO)-4-(m-TOLYL)BUTYL m-TOLYLRefChem:1087992BRN 27568993,3-Dimethyl-4-(dimethylamino)-4-(m-tolyl)butyl m-tolyl ketone5-(dimethylamino)-4,4-dimethyl-1,5-bis(3-methylphenyl)pentan-1-oneDTXSID80954012omega-(Dimethylamino)-3',gamma,gamma-trimethyl-omega-(m-tolyl)valerophenoneω-(Dimethylamino)-3',γ,γ-trimethyl-ω-(m-tolyl)valerophenone1-Pentanone, 5-(dimethylamino)-4,4-dimethyl-1,5-bis(3-methylphenyl)-
Database identifiers
- CAS
3215-88-1- PubChem CID
- 18581
- DTXSID
DTXSID80954012- Nikkaji
- J41.550B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Boiling point
- 473.79 °C · 473.79°C (rough estimate)
- Density
- 1.0261 · 1.0261 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- pka
- 9.02 · 9.02±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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