Basic information
- CAS
91554-99-3- Standard SMILES
C[NH2+]CC(O)c1cc(OC)c(OC)c(OC)c1.[Cl-]- InChIKey
ZODJVLQRICLBOG-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO4
- Average molar mass
- 277.74 g/mol
- Monoisotopic mass
- 277.1080858
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-((methylamino)methyl)-3,4,5-trimethoxy-, hydrochloride
- IUPAC
- [2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-methylazanium chloride
Names & synonyms
BENZYL ALCOHOL, alpha-((METHYLAMINO)METHYL)-3,4,5-TRIMETHOXY-, HYDROCHLORIDE91554-99-3RefChem:1079438N-Methyl-beta-hydroxymescaline hydrochlorideNSC 172803alpha-((Methylamino)methyl)-3,4,5-trimethoxy-benzyl alcohol hydrochloride
Database identifiers
- CAS
91554-99-3- PubChem CID
- 56265
Properties
Computed structural properties
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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