Basic information
- CAS
37126-62-8- Standard SMILES
C[NH+](C)CCC[NH+]1CC(C)(c2ccccc2)c2ccccc21.[Cl-].[Cl-]- InChIKey
SQEHJVDJYATVFZ-UHFFFAOYSA-N- Molecular formula
- C20H28Cl2N2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 366.1629543
Names & identifiers
- Preferred name
- 1H-Indole-1-propylamine, 2,3-dihydro-3-phenyl-N,N,3-trimethyl-, hydrochloride, hydrate, (1:2:1)
- IUPAC
- dimethyl-[3-(3-methyl-3-phenyl-1,2-dihydroindol-1-ium-1-yl)propyl]azanium dichloride
Names & synonyms
37126-62-81H-Indole-1-propylamine, 2,3-dihydro-3-phenyl-N,N,3-trimethyl-, hydrochloride, hydrate, (1:2:1)RefChem:10581872,3-Dihydro-3-phenyl-N,N,3-trimethyl-1H-indole-1-propylamine dihydrochloride hydrate
Database identifiers
- CAS
37126-62-8- PubChem CID
- 37657
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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