1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride
Basic information
- CAS
52400-77-8- Standard SMILES
CC[NH+](CC)CC[NH2+]CCC1(C)Oc2ccc(Cl)cc2O1.[Cl-].[Cl-]- InChIKey
SXVAQJMBDXYSQU-UHFFFAOYSA-N- Molecular formula
- C16H27Cl3N2O2
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 384.113811
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride
- IUPAC
- 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride
Names & synonyms
1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride52400-77-8RefChem:217888
Database identifiers
- CAS
52400-77-8- PubChem CID
- 40362
Properties
Computed structural properties
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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