Basic information
- CAS
4363-25-1- Standard SMILES
c1ccc2c(c1)C1CCN2CC1- InChIKey
RNFRFPSSWGWDKI-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 2H-1,4-Ethanoquinoline, 3,4-dihydro-
- IUPAC
- 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
- English name
- 1,4-Dihydro-1,4-Ethanoquinoline
- Molecular formula
- C11H13N
- Molecular weight
- 159.23
Names & synonyms
Benzoquinuclidine2H-1,4-Ethanoquinoline, 3,4-dihydro-3,4-Dihydro-2H-1,4-ethanoquinoline4363-25-1benzo[b]quinuclidineSCHEMBL1450949SCHEMBL11882582DTXSID90195898RNFRFPSSWGWDKI-UHFFFAOYSA-N1,4-Dihydro-1,4-Ethanoquinoline1,2,3,4-Tetrahydro-1,4-ethanoquinoline
Database identifiers
- CAS
4363-25-1- PubChem CID
- 138201
- DTXSID
DTXSID90195898- Nikkaji
- J112.923F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 249 · 249.0±10.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 5.96 · 5.96±0.20(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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