3-(4-methylphenyl)morpholine

• ChemBase ID: 804243
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(COCCN1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C1NCCOC1
• InChI: InChI=1S/C11H15NO/c1-9-2-4-10(5-3-9)11-8-13-7-6-12-11/h2-5,11-12H,6-8H2,1H3
• InChIKey: GVJDPIFKBRDIKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylphenyl)morpholine
• IUPAC Traditional name: 3-(4-methylphenyl)morpholine
• Synonyms: 3-(4-METHYLPHENYL)MORPHOLINE

Database IDs

• CAS Number: 1017481-27-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.47540802
• LogD (pH = 7.4): 1.2516217
• Log P: 1.8862827
• Molar Refractivity: 53.0919 cm^3
• Polarizability: 20.957623 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%