3-(4-methoxyphenyl)morpholine hydrochloride

• ChemBase ID: 76297
• Molecular Formular: C11H16ClNO2
• Molecular Mass: 229.70324
• Monoisotopic Mass: 229.08695644
• SMILES: O1CCNC(c2ccc(cc2)OC)C1.Cl
• Canonical SMILES: COc1ccc(cc1)C1NCCOC1.Cl
• InChI: InChI=1S/C11H15NO2.ClH/c1-13-10-4-2-9(3-5-10)11-8-14-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H
• InChIKey: XQZMRYIDFXCERH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)morpholine hydrochloride
• IUPAC Traditional name: 3-(4-methoxyphenyl)morpholine hydrochloride
• Synonyms: 4-(Morpholin-3-yl)anisole hydrochloride; 3-(4-Methoxyphenyl)morpholine hydrochloride

Database IDs

• MDL Number: MFCD03840088
• PubChem SID: 162041203
• PubChem CID: 17998842

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0244669
• LogD (pH = 7.4): 0.6825923
• Log P: 1.21519
• Molar Refractivity: 54.5139 cm^3
• Polarizability: 21.695614 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful