Indole, 1-(bis(2-(diethylamino)ethyl)amino)-5-bromo-3-phenyl-, dihydrochloride
Basic information
- CAS
57647-52-6- Standard SMILES
CC[NH+](CC)CCN(CC[NH+](CC)CC)n1cc(-c2ccccc2)c2cc(Br)ccc21.[Cl-].[Cl-]- InChIKey
NUBUTVBIUMRBSF-UHFFFAOYSA-N- Molecular formula
- C26H39BrCl2N4
- Average molar mass
- 558.4 g/mol
- Monoisotopic mass
- 556.17352
Names & identifiers
- Preferred name
- Indole, 1-(bis(2-(diethylamino)ethyl)amino)-5-bromo-3-phenyl-, dihydrochloride
- IUPAC
- 2-[(5-bromo-3-phenylindol-1-yl)-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride
Names & synonyms
1-(Bis(2-(diethylamino)ethyl)amino)-5-bromo-3-phenylindole dihydrochloride57647-52-6INDOLE, 1-(BIS(2-(DIETHYLAMINO)ETHYL)AMINO)-5-BROMO-3-PHENYL-, DIHYDROCHLORIDERefChem:349137
Database identifiers
- CAS
57647-52-6- PubChem CID
- 42523
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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