Basic information
- CAS
20422-68-8- Standard SMILES
CCC1(O)CC(C)N(C)C2CCCCC21- InChIKey
UKBFFPGRVCZRQZ-UHFFFAOYSA-N- Molecular formula
- C13H25NO
- Average molar mass
- 211.34 g/mol
- Monoisotopic mass
- 211.19361442
Names & identifiers
- Preferred name
- 4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha,8abeta)-
- IUPAC
- 4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
- English name
- 4-Quinolinol, 4alpha-ethyl-1,2,3,4,4aalpha,5,6,7,8,8abeta-decahydro-1, 2beta-dimethyl-
- Molecular formula
- C13H25NO
- Molecular weight
- 211.34
Names & synonyms
20422-68-84-Ethyl-1,2-dimethyldecahydroquinolin-4-ol4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2.alpha.,4.alpha.,4a.beta.,8a.alpha.)-4-Quinolinol, 4.alpha.-ethyl-1,2,3,4,4a.alpha.,5,6,7,8,8a.beta.-decahydro-1,2.beta.-dimethyl-4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha,8abeta)-DTXSID00942597UKBFFPGRVCZRQZ-UHFFFAOYSA-N4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2.alpha.,4.alpha.,4a.alpha.,8a.beta.)-4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2.alpha.,4.beta.,4a.alpha.,8a.beta.)-4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2alpha,4alpha,4aalpha,8abeta)-4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2alpha,4alpha,4abeta,8aalpha)-20422-70-2
Show more names
20422-72-44-Quinolinol, 4.alpha.-ethyl-1,2,3,4,4a.alpha.,5,6,7,8,8a.beta.-decahydro-1,2.alpha.-dimethyl-4-Quinolinol, 4.alpha.-ethyl-1,2,3,4,4a.beta.,5,6,7,8,8a.alpha.-decahydro-1,2.beta.-dimethyl-1,2-dimethyl-4-ethyldecahydro-4-quinolol4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, stereoisomer4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2R,4S,4aR,8aR)-rel-4-Ethyl-1,2-dimethyldecahydro-4-quinolinol-, (2.alpha.,4.alpha.,4a.beta.,8a.alpha.)-4-Quinolinol, 4alpha-ethyl-1,2,3,4,4aalpha,5,6,7,8,8abeta-decahydro-1, 2beta-dimethyl-
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 307.869 · 307.869±17.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.822 · 14.822±0.40(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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