3-azabicyclo[4.1.0]heptane

• ChemBase ID: 282238
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C1C2C1CCNC2
• Canonical SMILES: N1CCC2C(C1)C2
• InChI: InChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2
• InChIKey: MZFQJBMXUXJUHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azabicyclo[4.1.0]heptane
• IUPAC Traditional name: 3-azabicyclo[4.1.0]heptane
• Synonyms: 3-azabicyclo[4.1.0]heptane

Database IDs

• MDL Number: MFCD14581355
• PubChem SID: 180667769
• PubChem CID: 20521861

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.8312685
• LogD (pH = 7.4): -2.3987277
• Log P: 0.401185
• Molar Refractivity: 29.4524 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): 0.69

Product Information

• Purity: 95%