5-azidopentanoic acid

• ChemBase ID: 64076
• Molecular Formular: C5H9N3O2
• Molecular Mass: 143.14386
• Monoisotopic Mass: 143.06947654
• SMILES: C(CCCN=[N+]=[N-])C(=O)O
• Canonical SMILES: [N-]=[N+]=NCCCCC(=O)O
• InChI: InChI=1S/C5H9N3O2/c6-8-7-4-2-1-3-5(9)10/h1-4H2,(H,9,10)
• InChIKey: SBZDIRMBQJDCLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-azidopentanoic acid
• IUPAC Traditional name: 5-azidopentanoic acid
• Synonyms: 5-Azidopentanoic acid

Database IDs

• CAS Number: 79583-98-5
• MDL Number: MFCD11850108
• PubChem SID: 162029815
• PubChem CID: 11116171

CALCULATED PROPERTIES

• Acid pKa: 4.076168
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6705146
• LogD (pH = 7.4): -2.4009933
• Log P: 0.74999326
• Molar Refractivity: 34.6938 cm^3
• Polarizability: 12.847862 Å^3
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >97%