Basic information
- CAS
57665-49-3- Standard SMILES
CC[NH+](CC)CCN(CC[NH+](CC)CC)n1cc(-c2ccc(Cl)cc2)c2cc(Cl)ccc21.[Cl-].[Cl-]- InChIKey
OYSZKGKIXXHRJD-UHFFFAOYSA-N- Molecular formula
- C26H38Cl4N4
- Average molar mass
- 548.4 g/mol
- Monoisotopic mass
- 546.185058
Names & identifiers
- Preferred name
- Indole, 1-(bis(2-(diethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride, hemihydrate
- IUPAC
- 2-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride
Names & synonyms
57665-49-3Indole, 1-(bis(2-(diethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride, hemihydrate1-(Bis(2-(diethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)indole 2HCl hemihydrateRefChem:349138
Database identifiers
- CAS
57665-49-3- PubChem CID
- 42543
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…