2-azidoethan-1-ol

• ChemBase ID: 263614
• Molecular Formular: C2H5N3O
• Molecular Mass: 87.0806
• Monoisotopic Mass: 87.0432618
• SMILES: [N+](=[N-])=NCCO
• Canonical SMILES: [N-]=[N+]=NCCO
• InChI: InChI=1S/C2H5N3O/c3-5-4-1-2-6/h6H,1-2H2
• InChIKey: BSULWPSUVMOMAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azidoethan-1-ol
• IUPAC Traditional name: 2-azidoethanol
• Synonyms: 2-azidoethan-1-ol

Database IDs

• MDL Number: MFCD01940545
• PubChem SID: 164319524
• PubChem CID: 123118

CALCULATED PROPERTIES

• Acid pKa: 15.362402
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5023803
• LogD (pH = 7.4): -0.5023803
• Log P: -0.38833466
• Molar Refractivity: 20.8461 cm^3
• Polarizability: 7.4177127 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.438

Product Information

• Purity: 95%