Basic information
- CAS
20503-92-8- Standard SMILES
c1ccc(N2CCOC2)cc1- InChIKey
ITSRLVMSQHOSEC-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 3-Phenyloxazolidine
- IUPAC
- 3-phenyl-1,3-oxazolidine
- English name
- 3-Phenyloxazolidine
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
3-PhenyloxazolidineOxazolidine, 3-phenyl-20503-92-8DTXSID10334141RefChem:281814DTXCID20285231ITSRLVMSQHOSEC-UHFFFAOYSA-N3-Phenyl-1,3-oxazolidineSCHEMBL9984733-Phenyl-1,3-oxazolidine #SCHEMBL2218088SCHEMBL2533381
Show more names
SCHEMBL2537667
Database identifiers
- CAS
20503-92-8- PubChem CID
- 519787
- DTXSID
DTXSID10334141- Nikkaji
- J122.122A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 28 °C · 28 °C
- Boiling point
- 94 °C · 94 °C(Press: 1.5 Torr)
- Density
- 1.1056 g/cm3 · 1.1056 g/cm3(Temp: 30 °C)
- pka
- 4.16 · 4.16±0.40(Predicted)
Related reactions
1 records
Compound notes
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