2-azidoacetic acid

• ChemBase ID: 270401
• Molecular Formular: C2H3N3O2
• Molecular Mass: 101.06412
• Monoisotopic Mass: 101.02252635
• SMILES: [N+](=[N-])=NCC(=O)O
• Canonical SMILES: [N-]=[N+]=NCC(=O)O
• InChI: InChI=1S/C2H3N3O2/c3-5-4-1-2(6)7/h1H2,(H,6,7)
• InChIKey: PPXUUPXQWDQNGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azidoacetic acid
• IUPAC Traditional name: azidoacetic acid
• Synonyms: 2-azidoacetic acid

Database IDs

• MDL Number: MFCD01320907
• PubChem SID: 164326311
• PubChem CID: 155605

CALCULATED PROPERTIES

• Acid pKa: 3.1786542
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6316135
• LogD (pH = 7.4): -3.7834175
• Log P: -0.22024933
• Molar Refractivity: 20.6384 cm^3
• Polarizability: 7.475397 Å^3
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 14 - 16°C
• Hydrophobicity(logP): 0.679

Product Information

• Purity: 95%