N~1~-(5-Chloro-3-phenyl-1H-indol-1-yl)-N~1~,N~3~,N~3~-trimethylpropane-1,3-diamine--hydrogen chloride (1/1)
Basic information
- CAS
57647-37-7- Standard SMILES
CN(CCC[NH+](C)C)n1cc(-c2ccccc2)c2cc(Cl)ccc21.[Cl-]- InChIKey
XBVGYHJVJXYAHG-UHFFFAOYSA-N- Molecular formula
- C20H25Cl2N3
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.1425532
Names & identifiers
- Preferred name
- N~1~-(5-Chloro-3-phenyl-1H-indol-1-yl)-N~1~,N~3~,N~3~-trimethylpropane-1,3-diamine--hydrogen chloride (1/1)
- IUPAC
- 3-[(5-chloro-3-phenylindol-1-yl)-methylamino]propyl-dimethylazanium chloride
Names & synonyms
57647-37-7DTXSID70973232N~1~-(5-Chloro-3-phenyl-1H-indol-1-yl)-N~1~,N~3~,N~3~-trimethylpropane-1,3-diamine--hydrogen chloride (1/1)RefChem:1093417DTXCID301400688Indole, 5-chloro-1-((3-(dimethylamino)propyl)methylamino)-3-phenyl-, hydrochloride1,3-Propanediamine, N'-(5-chloro-3-phenyl-1-indolyl)-N,N-dimethyl-N'-methyl-, hydrochlorideN'-(5-Chloro-3-phenyl-1-indolyl)-N,N-dimethyl-N'-methyl-1,3-propanediamine hydrochlorideN'-(5-Chloro-3-phenyl-1-indolyl)-N,N-dimethyl-N'-methyl-1,3-propylenediamine hydrochloride
Database identifiers
- CAS
57647-37-7- PubChem CID
- 42513
Properties
Computed structural properties
- Topological polar surface area
- 12.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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