3-azidooxetane

• ChemBase ID: 275096
• Molecular Formular: C3H5N3O
• Molecular Mass: 99.0913
• Monoisotopic Mass: 99.0432618
• SMILES: [N+](=[N-])=NC1COC1
• Canonical SMILES: [N-]=[N+]=NC1COC1
• InChI: InChI=1S/C3H5N3O/c4-6-5-3-1-7-2-3/h3H,1-2H2
• InChIKey: VLBNHYWWBQMQNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azidooxetane
• IUPAC Traditional name: 3-azidooxetane
• Synonyms: 3-azidooxetane

Database IDs

• MDL Number: MFCD18839088
• PubChem SID: 164331006
• PubChem CID: 13153908

CALCULATED PROPERTIES

• Acid pKa: 17.721823
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.028988332
• LogD (pH = 7.4): 0.028988332
• Log P: 0.14303398
• Molar Refractivity: 23.2985 cm^3
• Polarizability: 8.594223 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.81

Product Information

• Purity: 95%