2-aminobicyclo[2.2.1]heptan-7-ol

• ChemBase ID: 248573
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C12C(C(CC1N)CC2)O
• Canonical SMILES: NC1CC2C(C1CC2)O
• InChI: InChI=1S/C7H13NO/c8-6-3-4-1-2-5(6)7(4)9/h4-7,9H,1-3,8H2
• InChIKey: HGAOPEUSALYBOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminobicyclo[2.2.1]heptan-7-ol
• IUPAC Traditional name: 2-aminobicyclo[2.2.1]heptan-7-ol
• Synonyms: 2-aminobicyclo[2.2.1]heptan-7-ol

Database IDs

• MDL Number: MFCD18826809
• PubChem SID: 164304483
• PubChem CID: 23366093

CALCULATED PROPERTIES

• Acid pKa: 14.644952
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.371342
• LogD (pH = 7.4): -2.888316
• Log P: -0.34969905
• Molar Refractivity: 35.0437 cm^3
• Polarizability: 14.310322 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.191

Product Information

• Purity: null%