Basic information
- CAS
52400-80-3- Standard SMILES
CC[NH+](CC)CC[NH2+]CCC1(C)Oc2cc(Br)c(Br)cc2O1.[Cl-].[Cl-]- InChIKey
DCCDACQUSKIVNL-UHFFFAOYSA-N- Molecular formula
- C16H26Br2Cl2N2O2
- Average molar mass
- 509.1 g/mol
- Monoisotopic mass
- 505.97381
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride
- IUPAC
- 2-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride
Names & synonyms
52400-80-31,3-Benzodioxole, 5,6-dibromo-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochlorideRefChem:217869
Database identifiers
- CAS
52400-80-3- PubChem CID
- 40366
Properties
Computed structural properties
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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