Basic information
- CAS
52401-02-2- Standard SMILES
C[NH+](C)CCC1(c2ccccc2)Oc2ccccc2O1.[Cl-]- InChIKey
VKWVQTNRDJWKBL-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1182566
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride
- IUPAC
- dimethyl-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Names & synonyms
52401-02-21,3-BENZODIOXOLE, 2-(2-(DIMETHYLAMINO)ETHYL)-2-PHENYL-, HYDROCHLORIDERefChem:10526922-(2-(Dimethylamino)ethyl)-2-phenyl-1,3-benzodioxole hydrochloride
Database identifiers
- CAS
52401-02-2- PubChem CID
- 40372
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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