1-azidopropane

• ChemBase ID: 128526
• Molecular Formular: C3H7N3
• Molecular Mass: 85.10778
• Monoisotopic Mass: 85.06399724
• SMILES: [N-]=[N+]=NCCC
• Canonical SMILES: [N-]=[N+]=NCCC
• InChI: InChI=1S/C3H7N3/c1-2-3-5-6-4/h2-3H2,1H3
• InChIKey: TVPPZASKIXGUJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azidopropane
• IUPAC Traditional name: N-propyl azide
• Synonyms: N-Propyl azide

Database IDs

• CAS Number: 22293-25-0
• PubChem SID: 162222833
• PubChem CID: 12405072
• Wikipedia Title: N-Propyl_azide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.067052
• LogD (pH = 7.4): 1.067052
• Log P: 1.1810977
• Molar Refractivity: 23.8264 cm^3
• Polarizability: 8.536388 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Main Hazard: Harmful, Explosive