bicyclo[4.1.0]heptan-2-amine

• ChemBase ID: 282204
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C12CC1CCCC2N
• Canonical SMILES: NC1CCCC2C1C2
• InChI: InChI=1S/C7H13N/c8-7-3-1-2-5-4-6(5)7/h5-7H,1-4,8H2
• InChIKey: WPUVOLWCVQYEPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[4.1.0]heptan-2-amine
• IUPAC Traditional name: bicyclo[4.1.0]heptan-2-amine
• Synonyms: bicyclo[4.1.0]heptan-2-amine

Database IDs

• MDL Number: MFCD17480483
• PubChem SID: 180667735
• PubChem CID: 3060812

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.11078
• LogD (pH = 7.4): -1.8397701
• Log P: 0.917509
• Molar Refractivity: 33.55 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.122

Product Information

• Purity: 95%