4-azidooxane

• ChemBase ID: 243925
• Molecular Formular: C5H9N3O
• Molecular Mass: 127.14446
• Monoisotopic Mass: 127.07456192
• SMILES: [N+](=[N-])=NC1CCOCC1
• Canonical SMILES: [N-]=[N+]=NC1CCOCC1
• InChI: InChI=1S/C5H9N3O/c6-8-7-5-1-3-9-4-2-5/h5H,1-4H2
• InChIKey: PIFJQRCPUURIFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azidooxane
• IUPAC Traditional name: 4-azidooxane
• Synonyms: 4-azidooxane

Database IDs

• MDL Number: MFCD19611600
• PubChem SID: 164299835
• PubChem CID: 63935844

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14890781
• LogD (pH = 7.4): 0.14890781
• Log P: 0.26295346
• Molar Refractivity: 33.0293 cm^3
• Polarizability: 12.221376 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.128

Product Information

• Purity: 95%