Basic information
- CAS
52400-62-1- Standard SMILES
CC1(CC[NH+]2CCOCC2)Oc2ccccc2O1.[Cl-]- InChIKey
GOVKDLFHVCVEKB-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO3
- Average molar mass
- 285.76 g/mol
- Monoisotopic mass
- 285.1131712
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride
- IUPAC
- 4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]morpholin-4-ium chloride
Names & synonyms
2-Methyl-2-(2-morpholinoethyl)-1,3-benzodioxole hydrochloride1,3-BENZODIOXOLE, 2-METHYL-2-(2-MORPHOLINOETHYL)-, HYDROCHLORIDE52400-62-1RefChem:217858
Database identifiers
- CAS
52400-62-1- PubChem CID
- 40353
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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