[2-(morpholin-4-yl)pyridin-4-yl]methanol

• ChemBase ID: 92939
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: n1c(cc(cc1)CO)N1CCOCC1
• Canonical SMILES: OCc1ccnc(c1)N1CCOCC1
• InChI: InChI=1S/C10H14N2O2/c13-8-9-1-2-11-10(7-9)12-3-5-14-6-4-12/h1-2,7,13H,3-6,8H2
• InChIKey: ODPRUQYSXQSWQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)pyridin-4-yl]methanol
• IUPAC Traditional name: [2-(morpholin-4-yl)pyridin-4-yl]methanol
• Synonyms: (2-morpholinopyrid-4-yl)methanol; [2-(Morpholin-4-yl)pyridin-4-yl]methanol; 4-(Hydroxymethyl)-2-(morpholin-4-yl)pyridine; 4-[4-(Hydroxymethyl)pyridin-2-yl]morpholine 97%

Database IDs

• CAS Number: 556109-99-0
• MDL Number: MFCD08271915; MFCD08445677
• PubChem SID: 162079637
• PubChem CID: 7537566

CALCULATED PROPERTIES

• Acid pKa: 14.89718
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2858062
• LogD (pH = 7.4): 0.44262746
• Log P: 0.47222456
• Molar Refractivity: 54.5336 cm^3
• Polarizability: 20.36599 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%