2-[cyclohexyl(methyl)amino]ethan-1-ol

• ChemBase ID: 274839
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N(C1CCCCC1)(CCO)C
• Canonical SMILES: OCCN(C1CCCCC1)C
• InChI: InChI=1S/C9H19NO/c1-10(7-8-11)9-5-3-2-4-6-9/h9,11H,2-8H2,1H3
• InChIKey: DSDSZHUBHNTFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclohexyl(methyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[cyclohexyl(methyl)amino]ethanol
• Synonyms: 2-[cyclohexyl(methyl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD09998053
• PubChem SID: 164330749
• PubChem CID: 277582

CALCULATED PROPERTIES

• Acid pKa: 15.593312
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1556177
• LogD (pH = 7.4): -1.2047006
• Log P: 1.299338
• Molar Refractivity: 47.2946 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.634

Product Information

• Purity: 95%