7-oxabicyclo[2.2.1]heptan-2-amine

• ChemBase ID: 237913
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: O1C2C(CC1CC2)N
• Canonical SMILES: NC1CC2OC1CC2
• InChI: InChI=1S/C6H11NO/c7-5-3-4-1-2-6(5)8-4/h4-6H,1-3,7H2
• InChIKey: DZOONCSMZVPSHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-oxabicyclo[2.2.1]heptan-2-amine
• IUPAC Traditional name: 7-oxabicyclo[2.2.1]heptan-2-amine
• Synonyms: 7-oxabicyclo[2.2.1]heptan-2-amine

Database IDs

• MDL Number: MFCD19207954
• PubChem SID: 164293823
• PubChem CID: 12264626

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2032657
• LogD (pH = 7.4): -2.425168
• Log P: -0.19890091
• Molar Refractivity: 30.4103 cm^3
• Polarizability: 12.542403 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.39

Product Information

• Purity: 95%