1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxybutyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
21599-20-2- Standard SMILES
OCCCCN1CCN2c3ccccc3CCC2C1- InChIKey
ZTKOUXVLEKOVEK-UHFFFAOYSA-N- Molecular formula
- C16H24N2O
- Average molar mass
- 260.37 g/mol
- Monoisotopic mass
- 260.18886339
Names & identifiers
- Preferred name
- 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxybutyl)-
- IUPAC
- 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-1-ol
- English name
- 2,3,4,4a,5,6-Hexahydro-α-methyl-1H-pyrazino[1,2-a]quinoline-3-(1-propanol)
- Molecular formula
- C16H24N2O
- Molecular weight
- 260.38
Names & synonyms
BRN 096046121599-20-23-(3-Hydroxybutyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxybutyl)-RefChem:2396834-(1,2,4,4a,5,6-hexahydro-3h-pyrazino[1,2-a]quinolin-3-yl)butan-1-olDTXSID609441982,3,4,4a,5,6-Hexahydro-alpha-methyl-1H-pyrazino[1,2-a]quinoline-3-(1-propanol)3H-Pyrazino[1,2-a]quinoline-3-propanol, 1,2,4,4a,5,6-hexahydro-α-methyl-2,3,4,4a,5,6-Hexahydro-α-methyl-1H-pyrazino[1,2-a]quinoline-3-(1-propanol)
Database identifiers
- CAS
21599-20-2- PubChem CID
- 89523
- DTXSID
DTXSID60944198
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 106 · 106-107 °C
- Boiling point
- 427.8 · 427.8±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 15.17 · 15.17±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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