Benzyl alcohol, p-hydroxy-alpha-(1-((1-methyl-2-(phenylthio)ethyl)amino)ethyl)-, hydrochloride
Basic information
- CAS
34920-63-3- Standard SMILES
CC(CSc1ccccc1)[NH2+]C(C)C(O)c1ccc(O)cc1.[Cl-]- InChIKey
GERKTRYHBKQUNN-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO2S
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.1216279
Names & identifiers
- Preferred name
- Benzyl alcohol, p-hydroxy-alpha-(1-((1-methyl-2-(phenylthio)ethyl)amino)ethyl)-, hydrochloride
- IUPAC
- [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-(1-phenylsulfanylpropan-2-yl)azanium chloride
Names & synonyms
Benzyl alcohol, p-hydroxy-alpha-(1-((1-methyl-2-(phenylthio)ethyl)amino)ethyl)-, hydrochloride1-(p-Hydroxyphenyl)-2-(1'-methyl-2'-phenylthioethylamino)-1-propanol hydrochloride34920-63-3RefChem:328628
Database identifiers
- CAS
34920-63-3- PubChem CID
- 36990
Properties
Computed structural properties
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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