Basic information
- CAS
1013-48-5- Standard SMILES
CC([NH3+])Cc1c[nH]c2c(Cl)cccc12.[Cl-]- InChIKey
BGWCMYGFCSQGBA-UHFFFAOYSA-N- Molecular formula
- C11H14Cl2N2
- Average molar mass
- 245.14 g/mol
- Monoisotopic mass
- 244.0534038
Names & identifiers
- Preferred name
- 1H-Indole-3-ethanamine, 7-chloro-alpha-methyl-, hydrochloride (1:1)
- IUPAC
- 1-(7-chloro-1H-indol-3-yl)propan-2-ylazanium chloride
Names & synonyms
1013-48-51H-Indole-3-ethanamine, 7-chloro-alpha-methyl-, hydrochloride (1:1)RefChem:10582093-(2-Aminopropyl)-7-chloroindole hydrochlorideINDOLE, 3-(2-AMINOPROPYL)-7-CHLORO-, HYDROCHLORIDE
Database identifiers
- CAS
1013-48-5- PubChem CID
- 13899
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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