Basic information
- CAS
477865-01-3- Standard SMILES
CC(Oc1ccc(C(C)(C)C)cc1)C(=O)C=CN(C)C- InChIKey
OIWYDLVSLDMSAD-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Tert-butylphenoxy)-1-(dimethylamino)pent-1-en-3-one
- IUPAC
- 4-(4-tert-butylphenoxy)-1-(dimethylamino)pent-1-en-3-one
- English name
- 4-[4-(tert-Butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one
- Molecular formula
- C17H25NO2
- Molecular weight
- 275.39
Names & synonyms
AKOS0302440244-[4-(tert-Butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one1-Penten-3-one, 1-(dimethylamino)-4-[4-(1,1-dimethylethyl)phenoxy]-
Database identifiers
- CAS
477865-01-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 387 · 387.0±37.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 6.41 · 6.41±0.70(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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