2-azabicyclo[4.1.0]heptane

• ChemBase ID: 282222
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C12CC1CCCN2
• Canonical SMILES: C1CNC2C(C1)C2
• InChI: InChI=1S/C6H11N/c1-2-5-4-6(5)7-3-1/h5-7H,1-4H2
• InChIKey: RMLNAEPKTRCSRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azabicyclo[4.1.0]heptane
• IUPAC Traditional name: 2-azabicyclo[4.1.0]heptane
• Synonyms: 2-azabicyclo[4.1.0]heptane

Database IDs

• MDL Number: MFCD09054981
• PubChem SID: 180667753
• PubChem CID: 21998683

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.612895
• LogD (pH = 7.4): -1.9504559
• Log P: 0.6086947
• Molar Refractivity: 29.2456 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.92

Product Information

• Purity: 95%