3-azidopropan-1-ol

• ChemBase ID: 263616
• Molecular Formular: C3H7N3O
• Molecular Mass: 101.10718
• Monoisotopic Mass: 101.05891186
• SMILES: [N+](=[N-])=NCCCO
• Canonical SMILES: [N-]=[N+]=NCCCO
• InChI: InChI=1S/C3H7N3O/c4-6-5-2-1-3-7/h7H,1-3H2
• InChIKey: WHVSIWLMCCGHFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azidopropan-1-ol
• IUPAC Traditional name: 3-azidopropan-1-ol
• Synonyms: 3-azidopropan-1-ol

Database IDs

• MDL Number: MFCD14652506
• PubChem SID: 164319526
• PubChem CID: 10996974

CALCULATED PROPERTIES

• Acid pKa: 15.93785
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.44242057
• LogD (pH = 7.4): -0.44242057
• Log P: -0.32837492
• Molar Refractivity: 25.7115 cm^3
• Polarizability: 9.222294 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.771

Product Information

• Purity: 95%