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Basic information
- CAS
7163-54-4- Standard SMILES
c1ccc(Oc2c3c(nc4ccccc24)CCCCC3)cc1- InChIKey
VHGPVVDFPDHNJF-UHFFFAOYSA-N- Molecular formula
- C20H19NO
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.14666423
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-phenoxy-
- IUPAC
- 11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
- English name
- 11-Phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
- Molecular formula
- C20H19NO
- Molecular weight
- 289.37
Names & synonyms
7163-54-4BRN 14846874-Phenoxy-2,3-pentamethylenequinoline6H-CYCLOHEPTA(b)QUINOLINE, 7,8,9,10-TETRAHYDRO-11-PHENOXY-7,8,9,10-Tetrahydro-11-phenoxy-6H-cyclohepta(b)quinolineDTXSID002218745-21-03-00529 (Beilstein Handbook Reference)RefChem:309564DTXCID3014436511-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline6H-Cyclohepta[b]quinoline, 7,8,9,10-tetrahydro-11-phenoxy-
Database identifiers
- CAS
7163-54-4- PubChem CID
- 23552
- DTXSID
DTXSID00221874- Nikkaji
- J48.597G
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 128 · 128-129 °C
- Boiling point
- 444.4 · 444.4±45.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 6.5 · 6.50±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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