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Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride

HCID 42527
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Basic information

CAS
57647-54-8
Standard SMILES
C[NH+](C)CCN(CC[NH+](C)C)n1cc(-c2ccc(Cl)cc2)c2cc(Cl)ccc21.[Cl-].[Cl-]
InChIKey
COQSXPFCJVJGDR-UHFFFAOYSA-N
Molecular formula
C22H30Cl4N4
Average molar mass
492.3 g/mol
Monoisotopic mass
490.122458

Names & identifiers

Preferred name
Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride
IUPAC
2-[[5-chloro-3-(4-chlorophenyl)indol-1-yl]-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethylazanium dichloride

Names & synonyms

Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride1-(Bis(2-(dimethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)indole dihydrochloride57647-54-8RefChem:349144

Database identifiers

CAS
57647-54-8
PubChem CID
42527

Properties

Computed structural properties

Topological polar surface area
17.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
30
Formal charge
0
Complexity
455

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