4-(2,6-dimethylphenyl)morpholine

• ChemBase ID: 796495
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C1COCCN1c1c(cccc1C)C
• Canonical SMILES: Cc1cccc(c1N1CCOCC1)C
• InChI: InChI=1S/C12H17NO/c1-10-4-3-5-11(2)12(10)13-6-8-14-9-7-13/h3-5H,6-9H2,1-2H3
• InChIKey: GLHNEBLMLDMUSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethylphenyl)morpholine
• IUPAC Traditional name: 4-(2,6-dimethylphenyl)morpholine
• Synonyms: 4-(2,6-DiMethylphenyl)Morpholine

Database IDs

• CAS Number: 255835-91-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8895395
• LogD (pH = 7.4): 2.8896308
• Log P: 2.889632
• Molar Refractivity: 59.6435 cm^3
• Polarizability: 22.332033 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%