Basic information
- CAS
2055-44-9- Standard SMILES
OC(CN1CCCCC1)c1cc(-c2ccccc2)on1- InChIKey
XKFIQZCHJUUSBA-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.15247789
Overview
Perisoxal is an aralkylamine.
Names & identifiers
- Preferred name
- Perisoxal
- IUPAC
- 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
- English name
- Perisoxal
- Molecular formula
- C16H20N2O2
- Molecular weight
- 272.34
Names & synonyms
Perisoxal2055-44-9Dl-perisoxalH0YBV6N85Ralpha-(5-Phenyl-3-isoxazolyl)-1-piperidineethanol3-(1-hydroxy-2-piperidinoethyl)-5-phenylisoxazoleDTXSID008601461-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-RefChem:171793DTXCID30197295Perisoxal [INN]1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
Show more names
α-(5-Phenylisoxazol-3-yl)-1-piperidineethanolα-(5-Phenyl-3-isoxazolyl)-1-piperidineethanol1-(5-Phenyl-3-isoxazolyl)-2-piperidinoethanol1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-
PerisoxalumPerisoxalum [INN-Latin]UNII-H0YBV6N85R3-(1-Hydroxy-2-piperidinoaethyl)-5-phenyl-isoxazol [German]PERISOXAL [MI]PERISOXAL [WHO-DD](+/-)-PERISOXALSCHEMBL23601
Database identifiers
- CAS
2055-44-9- PubChem CID
- 71109
- DTXSID
DTXSID00860146
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 107 · 107-108°
- Boiling point
- 467.4 · 467.4±45.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 12.87 · 12.87±0.20(Predicted)
- FDA UNII
- 0 YBV6N85R · H0YBV6N85R
Chemistry & industry
Suppliers1 total
上海石洋化工有限公司021-56795766 · [email protected]
Additional notes
DefinitionChEBI: Perisoxal is an aralkylamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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