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

• ChemBase ID: 80669
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N1(c2ccc(cn2)CO)CCOCC1
• Canonical SMILES: OCc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H14N2O2/c13-8-9-1-2-10(11-7-9)12-3-5-14-6-4-12/h1-2,7,13H,3-6,8H2
• InChIKey: NXKXCMMRCZMJRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(morpholin-4-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(morpholin-4-yl)pyridin-3-yl]methanol
• Synonyms: 5-(Hydroxymethyl)-2-(morpholin-4-yl)pyridine; (6-morpholino-3-pyridinyl)methanol; [6-(morpholin-4-yl)pyridin-3-yl]methanol

Database IDs

• CAS Number: 388088-73-1
• MDL Number: MFCD03086115
• PubChem SID: 162067789
• PubChem CID: 2776465

CALCULATED PROPERTIES

• Acid pKa: 14.840743
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.080029264
• LogD (pH = 7.4): 0.4571584
• Log P: 0.47222456
• Molar Refractivity: 54.5336 cm^3
• Polarizability: 20.3663 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): -0.024

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%