7-azabicyclo[4.1.0]heptane

• ChemBase ID: 259811
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: N1C2C1CCCC2
• Canonical SMILES: C1CCC2C(C1)N2
• InChI: InChI=1S/C6H11N/c1-2-4-6-5(3-1)7-6/h5-7H,1-4H2
• InChIKey: DINLIZUFVHTMDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-azabicyclo[4.1.0]heptane
• IUPAC Traditional name: 7-azabicyclo[4.1.0]heptane
• Synonyms: 7-azabicyclo[4.1.0]heptane

Database IDs

• MDL Number: MFCD11858224
• PubChem SID: 164315721
• PubChem CID: 549240

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3444966
• LogD (pH = 7.4): 0.38581207
• Log P: 1.0500655
• Molar Refractivity: 28.8078 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 21.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%