1,3-Benzodioxole-5-methanol, alpha-((2-(dimethylamino)ethoxy)methyl)-, hydrochloride
Basic information
- CAS
131961-58-5- Standard SMILES
CN(C)CCOCC(O)c1ccc2c(c1)OCO2.Cl- InChIKey
KSUKDMGFOLKDJX-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO4
- Average molar mass
- 289.75 g/mol
- Monoisotopic mass
- 289.1080858
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-methanol, alpha-((2-(dimethylamino)ethoxy)methyl)-, hydrochloride
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
Names & synonyms
1,3-Benzodioxole-5-methanol, alpha-((2-(dimethylamino)ethoxy)methyl)-, hydrochloride131961-58-5RefChem:217953DTXSID809274431-(2H-1,3-Benzodioxol-5-yl)-2-[2-(dimethylamino)ethoxy]ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
131961-58-5- PubChem CID
- 3076589
- DTXSID
DTXSID80927443
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 249
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…