Basic information
- CAS
57647-55-9- Standard SMILES
C[NH+](C)CCCN(CCC[NH+](C)C)n1cc(-c2ccc(Cl)cc2)c2cc(Cl)ccc21.[Cl-].[Cl-]- InChIKey
KJKZGOHZOCATOO-UHFFFAOYSA-N- Molecular formula
- C24H34Cl4N4
- Average molar mass
- 520.4 g/mol
- Monoisotopic mass
- 518.153758
Names & identifiers
- Preferred name
- Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride
- IUPAC
- 3-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium dichloride
Names & synonyms
Indole, 1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride1-(Bis(3-(dimethylamino)propyl)amino)-5-chloro-3-(p-chlorophenyl)indole dihydrochloride57647-55-9RefChem:349149
Database identifiers
- CAS
57647-55-9- PubChem CID
- 42529
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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