Basic information
- CAS
5392-14-3- Standard SMILES
CN(C)Cc1cc(C(C)(C)CC(C)(C)C)ccc1O- InChIKey
WNSUTQMGWMWAHF-UHFFFAOYSA-N- Molecular formula
- C17H29NO
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.22491455
Names & identifiers
- Preferred name
- 2-[(Dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
- IUPAC
- 2-[(dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
- English name
- NSC 3258
- Molecular formula
- C17H29NO
- Molecular weight
- 263.42
Names & synonyms
5392-14-32-[(dimethylamino)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol2-[(dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenolNSC3258Phenol,2-[(dimethylamino)methyl]-4-(1,1,3,3-tetramethylbutyl)-SCHEMBL15880430DTXSID80277632NSC 3258NSC-3258NSC31215NSC 31215NSC-31215
Show more names
Phenol, 2-[(dimethylamino)methyl]-4-(1,1,3,3-tetramethylbutyl)-
Database identifiers
- CAS
5392-14-3- PubChem CID
- 220460
- DTXSID
DTXSID80277632
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 335 · 335.0±27.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- pka
- 8.83 · 8.83±0.50(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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