Basic information
- CAS
52479-18-2- Standard SMILES
CC1(CC[NH3+])Oc2ccccc2O1.[Cl-]- InChIKey
IBPIERCRBXYCBI-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.0713064
Names & identifiers
- Preferred name
- 2-(2-Methyl-2H-1,3-benzodioxol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- 2-(2-methyl-1,3-benzodioxol-2-yl)ethylazanium chloride
Names & synonyms
52479-18-2DTXSID609669112-(2-Methyl-2H-1,3-benzodioxol-2-yl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1060906DTXCID9013945262-(Aminoethyl)-2-methyl-1,3-benzodioxole hydrochloride1,3-BENZODIOXOLE, 2-AMINOETHYL-2-METHYL-, HYDROCHLORIDE
Database identifiers
- CAS
52479-18-2- PubChem CID
- 40396
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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