[2-(morpholin-4-yl)pyridin-3-yl]methanol

• ChemBase ID: 80758
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N1(c2ncccc2CO)CCOCC1
• Canonical SMILES: OCc1cccnc1N1CCOCC1
• InChI: InChI=1S/C10H14N2O2/c13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12/h1-3,13H,4-8H2
• InChIKey: WESHZTWFDUKWGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-(morpholin-4-yl)pyridin-3-yl]methanol
• Synonyms: (2-morpholino-3-pyridinyl)methanol; [2-(Morpholin-4-yl)pyridin-3-yl]methanol; 3-(Hydroxymethyl)-2-(morpholin-4-yl)pyridine

Database IDs

• CAS Number: 423768-55-2
• MDL Number: MFCD03086196
• PubChem SID: 162067878
• PubChem CID: 2776571

CALCULATED PROPERTIES

• Acid pKa: 14.645116
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13553293
• LogD (pH = 7.4): 0.45405018
• Log P: 0.47222456
• Molar Refractivity: 54.5336 cm^3
• Polarizability: 20.36658 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-83°C

Safety Information

• Storage Warning: Irritant/Air Sensitive/Store under Argon

Product Information

• Purity: 97%