Basic information
- CAS
29540-35-0- Standard SMILES
C[NH+](C)Cc1c(O)ccc2occ(C(O)c3ccccc3)c12.[Cl-]- InChIKey
ZZMIMGCANUQYKF-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO3
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1131712
Names & identifiers
- Preferred name
- 3-Benzofuranmethanol, 4-((dimethylamino)methyl)-5-hydroxy-alpha-phenyl-, hydrochloride (1:1)
- IUPAC
- [5-hydroxy-3-[hydroxy(phenyl)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
29540-35-0RefChem:10673563-Benzofuranmethanol, 4-((dimethylamino)methyl)-5-hydroxy-alpha-phenyl-, hydrochloride (1:1)5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(alpha-HYDROXYBENZYL)-, HYDROCHLORIDE4-Dimethylaminomethyl-5-hydroxy-3-(alpha-hydroxy)benzylbenzofuran hydrochloride
Database identifiers
- CAS
29540-35-0- PubChem CID
- 34622
Properties
Computed structural properties
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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