Basic information
- CAS
67195-36-2- Standard SMILES
CN1CCN(CCCc2ccc3c(c2)C/C=C\C2=C(CCC=C2)C3)CC1.Cl.Cl- InChIKey
LFOSNRSUYVPKCY-FPAIPBCFSA-N- Molecular formula
- C24H34Cl2N2
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 420.2099045
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cyclooctene, 10,11,12-trihydro-3-(3-(4-methylpiperazinyl)propyl)-, dihydrochloride
- IUPAC
- 1-methyl-4-[3-[(10Z)-6-tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,10,13-hexaenyl]propyl]piperazine;dihydrochloride
Names & synonyms
5H-Dibenzo(a,d)cyclooctene, 10,11,12-trihydro-3-(3-(4-methylpiperazinyl)propyl)-, dihydrochloride67195-36-2RefChem:1073476
Database identifiers
- CAS
67195-36-2- PubChem CID
- 6434985
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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