2-azidocyclopentan-1-ol

• ChemBase ID: 259848
• Molecular Formular: C5H9N3O
• Molecular Mass: 127.14446
• Monoisotopic Mass: 127.07456192
• SMILES: [N+](=[N-])=NC1C(O)CCC1
• Canonical SMILES: [N-]=[N+]=NC1CCCC1O
• InChI: InChI=1S/C5H9N3O/c6-8-7-4-2-1-3-5(4)9/h4-5,9H,1-3H2
• InChIKey: HUHPZGBAWPMUCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azidocyclopentan-1-ol
• IUPAC Traditional name: 2-azidocyclopentan-1-ol
• Synonyms: 2-azidocyclopentan-1-ol

Database IDs

• MDL Number: MFCD12912756
• PubChem SID: 164315758
• PubChem CID: 13737689

CALCULATED PROPERTIES

• Acid pKa: 14.400019
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.46751997
• LogD (pH = 7.4): 0.46751994
• Log P: 0.5815656
• Molar Refractivity: 32.3285 cm^3
• Polarizability: 12.15364 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.281

Product Information

• Purity: 95%