azidocyclohexane

• ChemBase ID: 276329
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: [N+](=[N-])=NC1CCCCC1
• Canonical SMILES: [N-]=[N+]=NC1CCCCC1
• InChI: InChI=1S/C6H11N3/c7-9-8-6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: ODSNIGPBQIINLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azidocyclohexane
• IUPAC Traditional name: azidocyclohexane
• Synonyms: azidocyclohexane

Database IDs

• MDL Number: MFCD01102170
• PubChem SID: 164332239
• PubChem CID: 88153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9869922
• LogD (pH = 7.4): 1.9869922
• Log P: 2.101038
• Molar Refractivity: 35.568 cm^3
• Polarizability: 13.316595 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.527

Product Information

• Purity: 95%