Basic information
- CAS
21621-38-5- Standard SMILES
CC(C)(O)CCN1CCN2c3ccccc3CCC2C1- InChIKey
GRPWOXJJPTXYQU-UHFFFAOYSA-N- Molecular formula
- C17H26N2O
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.20451346
Names & identifiers
- Preferred name
- 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxy-3-methylbutyl)-
- IUPAC
- 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-2-methylbutan-2-ol
- English name
- 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxy-3-met hylbutyl)-
- Molecular formula
- C17H26N2O
- Molecular weight
- 274.4
Names & synonyms
21621-38-5BRN 09606861H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxy-3-methylbutyl)-3-(3-Hydroxy-3-methyl)butyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinolineRefChem:2396824-(1,2,4,4a,5,6-hexahydro-3h-pyrazino[1,2-a]quinolin-3-yl)-2-methylbutan-2-olDTXSID909442221H-PYRAZINO(1,2-A)QUINOLINE, 2,3,4,4A,5,6-HEXAHYDRO-3-(3-HYDROXY-3-MET HYLBUTYL)-3H-Pyrazino[1,2-a]quinoline-3-propanol, 1,2,4,4a,5,6-hexahydro-α,α-dimethyl-4-(2,3,4,4a,5,6-Hexahydro-1H-pyrazino[1,2-a]quinolin-3-yl)-2-methyl-2-butanol
Database identifiers
- CAS
21621-38-5- PubChem CID
- 89526
- DTXSID
DTXSID90944222- Nikkaji
- J113.415I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 78 · 78-79 °C
- Boiling point
- 433.8 · 433.8±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 15.24 · 15.24±0.29(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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