1-(6-Chloro-1H-indol-3-yl)butan-2-amine--hydrogen chloride (1/1)
Basic information
- CAS
1446-77-1- Standard SMILES
CCC([NH3+])Cc1c[nH]c2cc(Cl)ccc12.[Cl-]- InChIKey
MSYJBLHCOXPWCI-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2
- Average molar mass
- 259.17 g/mol
- Monoisotopic mass
- 258.0690539
Names & identifiers
- Preferred name
- 1-(6-Chloro-1H-indol-3-yl)butan-2-amine--hydrogen chloride (1/1)
- IUPAC
- 1-(6-chloro-1H-indol-3-yl)butan-2-ylazanium chloride
Names & synonyms
1446-77-1DTXSID909323461-(6-Chloro-1H-indol-3-yl)butan-2-amine--hydrogen chloride (1/1)RefChem:1054541DTXCID0013610393-(2-Aminobutyl)-6-chloroindole hydrochlorideINDOLE, 3-(2-AMINOBUTYL)-6-CHLORO-, HYDROCHLORIDE
Database identifiers
- CAS
1446-77-1- PubChem CID
- 15057
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
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Compound notes
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