5,6,7,8-Tetrahydrodibenz[c,e]azocine
Basic information
- CAS
6196-54-9- Standard SMILES
c1ccc2c(c1)CCNCc1ccccc1-2- InChIKey
CZXBNRDOUYJNES-UHFFFAOYSA-N- Molecular formula
- C15H15N
- Average molar mass
- 209.29 g/mol
- Monoisotopic mass
- 209.12044948
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydrodibenz[c,e]azocine
- IUPAC
- 9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
- English name
- 5,6,7,8-Tetrahydrodibenzo[c,E]azocine
- Molecular formula
- C15H15N
- Molecular weight
- 209.29
Names & synonyms
5,6,7,8-Tetrahydrodibenz[c,e]azocine6196-54-95,6,7,8-TETRAHYDRODIBENZ(C,E)AZOCINEDibenz[c,e]azocine, 5,6,7,8-tetrahydro-DTXSID20210987Dibenz(c,e)azocine, 5,6,7,8-tetrahydro-RefChem:101096DTXCID50133478CZXBNRDOUYJNES-UHFFFAOYSA-N5,6,7,8-Tetrahydrodibenzo[c,E]azocineSCHEMBL112230775,6,7,8-Tetrahydrodibenzo[c,E]azocine #
Database identifiers
- CAS
6196-54-9- PubChem CID
- 22569
- DTXSID
DTXSID20210987- Nikkaji
- J101.794B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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