2-(cyclohexylamino)-1-phenylethan-1-ol

• ChemBase ID: 111704
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: OC(CNC1CCCCC1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)CNC1CCCCC1
• InChI: InChI=1S/C14H21NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2
• InChIKey: ISYFTHDLBGNHQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexylamino)-1-phenylethan-1-ol
• IUPAC Traditional name: 2-(cyclohexylamino)-1-phenylethanol
• Synonyms: 2-CYCLOHEXYLAMINO-1-PHENYLETHANOL; 2-Cyclohexylamino-1-phenylethanol; 2-环己基氨基-1-苯基乙醇

Database IDs

• CAS Number: 6589-48-6
• EC Number: 229-523-4
• MDL Number: MFCD00021321
• PubChem SID: 162096626
• PubChem CID: 23064

CALCULATED PROPERTIES

• Acid pKa: 14.120651
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.51105696
• LogD (pH = 7.4): 0.287643
• Log P: 2.7005303
• Molar Refractivity: 66.2827 cm^3
• Polarizability: 26.49856 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05220471

MP Biomedicals Rare Chemical collection