1,3-Benzodioxole, 2-(2-(2-(dimethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride
Basic information
- CAS
52400-61-0- Standard SMILES
C[NH+](C)CC[NH2+]CCC1(C)Oc2ccccc2O1.[Cl-].[Cl-]- InChIKey
VLMFACWRYMEGRD-UHFFFAOYSA-N- Molecular formula
- C14H24Cl2N2O2
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 322.1214834
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-(2-(2-(dimethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride
- IUPAC
- dimethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl]azanium dichloride
Names & synonyms
1,3-Benzodioxole, 2-(2-(2-(dimethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride2-(2-(2-(Dimethylamino)ethylamino)ethyl)-2-methyl-1,3-benzodioxole dihydrochloride52400-61-0RefChem:217846
Database identifiers
- CAS
52400-61-0- PubChem CID
- 40351
Properties
Computed structural properties
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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