Basic information
- CAS
18111-13-2- Standard SMILES
COc1cc(C(O)C[NH3+])cc(OC)c1OC.[Cl-]- InChIKey
FXZLKKOLQKAYNM-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO4
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0924357
Names & identifiers
- Preferred name
- beta-Hydroxymescaline hydrochloride
- IUPAC
- [2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]azanium chloride
Names & synonyms
beta-Hydroxymescaline hydrochloride18111-13-2RefChem:1079690alpha-(Aminomethyl)-3,4,5-trimethoxy-benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(AMINOMETHYL)-3,4,5-TRIMETHOXY-, HYDROCHLORIDENSC 173081
Database identifiers
- CAS
18111-13-2- PubChem CID
- 28893
Properties
Computed structural properties
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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