1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
440365-50-4- Standard SMILES
CCCCc1nc(-c2ccccc2)c(CCCC)c2c1CCCC2- InChIKey
NEAJDCQMVXLVHX-UHFFFAOYSA-N- Molecular formula
- C23H31N
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.24564999
Names & identifiers
- Preferred name
- 1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline
- IUPAC
- 1,4-dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline
- English name
- 1,4-DIBUTYL-3-PHENYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE
- Molecular formula
- C23H31N
- Molecular weight
- 321.5
Names & synonyms
1,4-DIBUTYL-3-PHENYL-5,6,7,8-TETRAHYDROISOQUINOLINE440365-50-4DTXSID406996591,4-DIBUTYL-3-PHENYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINEIsoquinoline, 1,4-dibutyl-5,6,7,8-tetrahydro-3-phenyl-
Database identifiers
- CAS
440365-50-4- PubChem CID
- 53427848
- DTXSID
DTXSID40699659- Nikkaji
- J1.747.864H
Properties
Computed structural propertiesFilling in
- XLogP
- 7.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 431.3 · 431.3±44.0 °C(Predicted)
- Density
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- pka
- 6.44 · 6.44±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…