Basic information
- CAS
29465-21-2- Standard SMILES
CN1CCN(CCCn2c3c(c4c(C(F)(F)F)cccc42)CCCC3)CC1.Cl.Cl- InChIKey
FXARNZGSCHEKQZ-UHFFFAOYSA-N- Molecular formula
- C21H30Cl2F3N3
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 451.1768878
Names & identifiers
- Preferred name
- Carbazole, 1,2,3,4-tetrahydro-9-(3-(4-methyl-1-piperazinyl)propyl)-5(or 7)-(trifluoromethyl)-,dihydrochloride
- IUPAC
- 9-[3-(4-methylpiperazin-1-yl)propyl]-5-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole;dihydrochloride
Names & synonyms
29465-21-2Carbazole, 1,2,3,4-tetrahydro-9-(3-(4-methyl-1-piperazinyl)propyl)-5(or 7)-(trifluoromethyl)-,dihydrochlorideDTXSID10183671RefChem:333249DTXCID501061629-[3-(4-Methylpiperazin-1-yl)propyl]-5-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole--hydrogen chloride (1/2)
Database identifiers
- CAS
29465-21-2- PubChem CID
- 34597
- DTXSID
DTXSID10183671
Properties
Computed structural properties
- Topological polar surface area
- 11.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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