Basic information
- CAS
86010-43-7- Standard SMILES
COc1cc(CC[NH+]2CCC[NH+](C)CC2)cc(OC)c1OC.[Cl-].[Cl-]- InChIKey
CTLIIINMIUATNJ-UHFFFAOYSA-N- Molecular formula
- C17H30Cl2N2O3
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.1633482
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine, hexahydro-1-methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)-, dihydrochloride
- IUPAC
- 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride
Names & synonyms
1H-1,4-Diazepine, hexahydro-1-methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)-, dihydrochloride86010-43-7RefChem:10577351-Methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)hexahydro-1H-1,4-diazepine dihydrochloride1-Methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)perhydro-1,4-diazepine dihydrochloride
Database identifiers
- CAS
86010-43-7- PubChem CID
- 55459
Properties
Computed structural properties
- Topological polar surface area
- 36.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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