Basic information
- CAS
37126-60-6- Standard SMILES
CC[NH+](CC)CC[NH+]1CC(C)(c2ccccc2)c2ccccc21.[Cl-].[Cl-]- InChIKey
YAMWXAGSUQNAFR-UHFFFAOYSA-N- Molecular formula
- C21H30Cl2N2
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 380.1786044
Names & identifiers
- Preferred name
- N,N-Diethyl-2-(3-methyl-3-phenyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine--hydrogen chloride (1/2)
- IUPAC
- diethyl-[2-(3-methyl-3-phenyl-1,2-dihydroindol-1-ium-1-yl)ethyl]azanium dichloride
Names & synonyms
37126-60-6DTXSID40958314N,N-Diethyl-2-(3-methyl-3-phenyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine--hydrogen chloride (1/2)RefChem:1090435DTXCID5013862241H-Indole-1-ethylamine, 2,3-dihydro-N,N-diethyl-3-methyl-3-phenyl-, dihydrochloride2,3-Dihydro-N,N-diethyl-3-methyl-3-phenyl-1H-indole-1-ethylamine dihydrochloride
Database identifiers
- CAS
37126-60-6- PubChem CID
- 37653
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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