Basic information
- CAS
51053-69-1- Standard SMILES
c1cc2ccc1CCc1ccc([nH]1)CC2- InChIKey
INGMFVLWKWYBEX-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Names & identifiers
- Preferred name
- 15-Azatricyclo(8.2.2.14,7)pentadeca-4,6,10,12,13-pentaene
- IUPAC
- 15-azatricyclo[8.2.2.14,7]pentadeca-1(13),4,6,10(14),11-pentaene
Names & synonyms
15-Azatricyclo(8.2.2.14,7)pentadeca-4,6,10,12,13-pentaene51053-69-115-Azatricyclo[8.2.2.14,7]pentadeca-4,6,10,12,13-pentaeneDTXSID201990611~1~H-1(2,5)-Pyrrola-4(1,4)-benzenacyclohexaphane
Database identifiers
- CAS
51053-69-1- PubChem CID
- 142807
- DTXSID
DTXSID20199061
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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