1,2-oxazinane

• ChemBase ID: 16974
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: C1CCONC1
• Canonical SMILES: C1CCNOC1
• InChI: InChI=1S/C4H9NO/c1-2-4-6-5-3-1/h5H,1-4H2
• InChIKey: OZQGLZFAWYKKLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-oxazinane
• IUPAC Traditional name: 1,2-oxazinane
• Synonyms: 1,2-oxazinane; [1,2]Oxazinane

Database IDs

• CAS Number: 36652-42-3
• MDL Number: MFCD06751697
• PubChem SID: 160980281
• PubChem CID: 142102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.056581713
• LogD (pH = 7.4): 0.26354268
• Log P: 0.26693788
• Molar Refractivity: 34.1995 cm^3
• Polarizability: 9.589044 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false