2-(1-aminocyclohexyl)ethan-1-ol

• ChemBase ID: 235220
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(N)(CCO)CCCCC1
• Canonical SMILES: OCCC1(N)CCCCC1
• InChI: InChI=1S/C8H17NO/c9-8(6-7-10)4-2-1-3-5-8/h10H,1-7,9H2
• InChIKey: AFKLOISITINPNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminocyclohexyl)ethan-1-ol
• IUPAC Traditional name: 2-(1-aminocyclohexyl)ethanol
• Synonyms: 2-(1-aminocyclohexyl)ethan-1-ol

Database IDs

• MDL Number: MFCD18459182
• PubChem SID: 164291130
• PubChem CID: 55296761

CALCULATED PROPERTIES

• Acid pKa: 15.915603
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5593915
• LogD (pH = 7.4): -2.231802
• Log P: 0.4674381
• Molar Refractivity: 41.9803 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.064

Product Information

• Purity: 95%