1,4-Benzodioxan-3-methylamine, N-ethyl-5-methoxy-, hydrochloride
Basic information
- CAS
100310-82-5- Standard SMILES
CC[NH2+]CC1COc2cccc(OC)c2O1.[Cl-]- InChIKey
UTDJXCOOCIMTED-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO3
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.0975211
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-3-methylamine, N-ethyl-5-methoxy-, hydrochloride
- IUPAC
- ethyl-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]azanium chloride
Names & synonyms
8-Methoxy-2-ethylaminomethyl-1,4-benzodioxane hydrochloride100310-82-51,4-BENZODIOXAN-3-METHYLAMINE, N-ETHYL-5-METHOXY-, HYDROCHLORIDERefChem:220100
Database identifiers
- CAS
100310-82-5- PubChem CID
- 57704
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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