Basic information
- CAS
3215-87-0- Standard SMILES
Cc1ccc(C(=O)CCC(C)(C)C(c2ccc(C)cc2)N(C)C)cc1- InChIKey
WEQPIUHSPPACCR-UHFFFAOYSA-N- Molecular formula
- C23H31NO
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.24056461
Names & identifiers
- Preferred name
- 5-(Dimethylamino)-4,4-dimethyl-1,5-bis(4-methylphenyl)pentan-1-one
- IUPAC
- 5-(dimethylamino)-4,4-dimethyl-1,5-bis(4-methylphenyl)pentan-1-one
- English name
- ω-(Dimethylamino)-4',γ,γ-trimethyl-ω-(p-tolyl)valerophenone
- Molecular formula
- C23H31NO
- Molecular weight
- 337.5
Names & synonyms
3215-87-05-(dimethylamino)-4,4-dimethyl-1,5-bis(4-methylphenyl)pentan-1-oneDTXSID20954011RefChem:1072539DTXCID501382046BRN 27569453,3-Dimethyl-4-(dimethylamino)-4-(p-tolyl)butyl p-tolyl ketoneKETONE, 3,3-DIMETHYL-4-(DIMETHYLAMINO)-4-(p-TOLYL)BUTYL p-TOLYLomega-(Dimethylamino)-4',gamma,gamma-trimethyl-omega-(p-tolyl)valerophenoneω-(Dimethylamino)-4',γ,γ-trimethyl-ω-(p-tolyl)valerophenone1-Pentanone, 5-(dimethylamino)-4,4-dimethyl-1,5-bis(4-methylphenyl)-
Database identifiers
- CAS
3215-87-0- PubChem CID
- 18580
- DTXSID
DTXSID20954011- Nikkaji
- J41.552I
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
- 412
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)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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