2-(morpholin-4-yl)phenol

• ChemBase ID: 85466
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: N1(c2c(cccc2)O)CCOCC1
• Canonical SMILES: Oc1ccccc1N1CCOCC1
• InChI: InChI=1S/C10H13NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h1-4,12H,5-8H2
• InChIKey: VMPYFWTYGZZUMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)phenol
• IUPAC Traditional name: 2-(morpholin-4-yl)phenol
• Synonyms: 2-morpholinophenol; 2-(Morpholin-4-yl)phenol

Database IDs

• CAS Number: 41536-44-1
• MDL Number: MFCD00051674
• PubChem SID: 162072582
• PubChem CID: 2795394

CALCULATED PROPERTIES

• Acid pKa: 10.190332
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5592121
• LogD (pH = 7.4): 1.5585243
• Log P: 1.5592239
• Molar Refractivity: 51.542 cm^3
• Polarizability: 19.402458 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126-129°C°C
• Boiling Point: 130°C°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%