1-azidobutane

• ChemBase ID: 243696
• Molecular Formular: C4H9N3
• Molecular Mass: 99.13436
• Monoisotopic Mass: 99.0796473
• SMILES: [N+](=[N-])=NCCCC
• Canonical SMILES: [N-]=[N+]=NCCCC
• InChI: InChI=1S/C4H9N3/c1-2-3-4-6-7-5/h2-4H2,1H3
• InChIKey: QZOJRSAENHTURL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azidobutane
• IUPAC Traditional name: 1-azidobutane
• Synonyms: 1-azidobutane

Database IDs

• MDL Number: MFCD14652223
• PubChem SID: 164299606
• PubChem CID: 4563922

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5116208
• LogD (pH = 7.4): 1.5116208
• Log P: 1.6256664
• Molar Refractivity: 28.4274 cm^3
• Polarizability: 10.366585 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.083

Product Information

• Purity: 95%