2-azidopropane

• ChemBase ID: 58079
• Molecular Formular: C3H7N3
• Molecular Mass: 85.10778
• Monoisotopic Mass: 85.06399724
• SMILES: CC(N=[N+]=[N-])C
• Canonical SMILES: CC(N=[N+]=[N-])C
• InChI: InChI=1S/C3H7N3/c1-3(2)5-6-4/h3H,1-2H3
• InChIKey: OZLTWYYNOLDSIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azidopropane
• IUPAC Traditional name: 2-azidopropane
• Synonyms: 2-Azidopropane

Database IDs

• CAS Number: 691-57-6
• MDL Number: MFCD13248784
• PubChem SID: 162062842
• PubChem CID: 12405073

CALCULATED PROPERTIES

• Acid pKa: 4.6819997
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9611047
• LogD (pH = 7.4): 0.9611047
• Log P: 1.0751504
• Molar Refractivity: 23.7212 cm^3
• Polarizability: 8.536388 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.334

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%