Basic information
- CAS
66427-61-0- Standard SMILES
CC(=O)OC1c2ccccc2NC(c2ccccc2)C1(C)C- InChIKey
VAOZQZJBAMIKTF-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-phenyl-1,2,3,4-tetrahydro-4-quinolinyl acetate
- IUPAC
- (3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinolin-4-yl) acetate
- English name
- 3,3-Dimethyl-2-phenyl-1,2,3,4-tetrahydro-4-quinolinyl acetate
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
66427-61-03,3-Dimethyl-2-phenyl-1,2,3,4-tetrahydro-4-quinolinyl acetateDTXSID80346554RefChem:270369DTXCID10297626(3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinolin-4-yl) acetate3,3-dimethyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl acetateTimTec1_005822Oprea1_301442Oprea1_629798VAOZQZJBAMIKTF-UHFFFAOYSA-NHMS1550I14
Show more names
4-Quinolinol, 1,2,3,4-tetrahydro-3,3-dimethyl-2-phenyl-, 4-acetate
STK742768AKOS001582828NCGC00173477-01ST083811SR-01000388622SR-01000388622-13,3-dimethyl-2-phenyl-4-1,2,3,4-tetrahydroquinolyl acetate3,3-Dimethyl-2-phenyl-1,2,3,4-tetrahydro-4-quinolinyl acetate #
Database identifiers
- CAS
66427-61-0- PubChem CID
- 613208
- DTXSID
DTXSID80346554
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 153 °C · 153 °C
- Boiling point
- 410.8 · 410.8±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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