rel-(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-ol hydrochloride

• ChemBase ID: 796648
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: Cl.[C@@H]1(CC[C@@H](CC1)N1CCOCC1)O
• Canonical SMILES: O[C@@H]1CC[C@H](CC1)N1CCOCC1.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11;/h9-10,12H,1-8H2;1H/t9-,10-
• InChIKey: ASDRUTOIJIFPKG-AWLKUTLJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rel-(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-ol hydrochloride
• IUPAC Traditional name: rel-(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-ol hydrochloride
• Synonyms: trans-4-Morpholinocyclohexanol hydrochloride

Database IDs

• CAS Number: 1588441-09-1

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 15.256584
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9958366
• LogD (pH = 7.4): -0.24411426
• Log P: 0.38422102
• Molar Refractivity: 51.7463 cm^3
• Polarizability: 20.530987 Å^3
• Polar Surface Area: 32.7 Å^2

PROPERTIES

Product Information

• Purity: 97%