Basic information
- CAS
63991-17-3- Standard SMILES
CNCC(O)c1cc(OC)ccc1OC.Cl- InChIKey
XGRPZMQMSBNEOX-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO3
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0975211
Overview
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Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-2-(methylamino)ethan-1-ol--hydrogen chloride (1/1)
- IUPAC
- 1-(2,5-dimethoxyphenyl)-2-(methylamino)ethanol;hydrochloride
Names & synonyms
DTXSID209818071-(2,5-Dimethoxyphenyl)-2-(methylamino)ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
63991-17-3- PubChem CID
- 92016294
- DTXSID
DTXSID20981807
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 177
Related reactions
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Compound notes
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