(2R)-2-amino-2-cyclohexylethan-1-ol

• ChemBase ID: 796683
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C([C@@H](C1CCCCC1)N)O
• Canonical SMILES: OC[C@@H](C1CCCCC1)N
• InChI: InChI=1S/C8H17NO/c9-8(6-10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2/t8-/m0/s1
• InChIKey: VJJORIDDPKCJTI-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-cyclohexylethan-1-ol
• IUPAC Traditional name: (2R)-2-amino-2-cyclohexylethanol
• Synonyms: (R)-2-AMino-2-cyclohexylethanol

Database IDs

• CAS Number: 85711-13-3

CALCULATED PROPERTIES

• Acid pKa: 15.118875
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1556857
• LogD (pH = 7.4): -1.5185568
• Log P: 0.85848945
• Molar Refractivity: 41.6263 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%