1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-methyl-, hydrochloride
Basic information
- CAS
65210-30-2- Standard SMILES
C[NH+](C)CCC1(C)Oc2ccccc2O1.[Cl-]- InChIKey
CBWYYXAMTYOCGY-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-methyl-, hydrochloride
- IUPAC
- dimethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Names & synonyms
65210-30-21,3-BENZODIOXOLE, 2-(2-(DIMETHYLAMINO)ETHYL)-2-METHYL-, HYDROCHLORIDERefChem:10526912-(2-(Dimethylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride
Database identifiers
- CAS
65210-30-2- PubChem CID
- 47537
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
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Compound notes
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