5-propylmorpholin-3-one

• ChemBase ID: 801631
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1(=O)COCC(N1)CCC
• Canonical SMILES: CCCC1COCC(=O)N1
• InChI: InChI=1S/C7H13NO2/c1-2-3-6-4-10-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
• InChIKey: ABRSYFJLBXYWCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propylmorpholin-3-one
• IUPAC Traditional name: 5-propylmorpholin-3-one
• Synonyms: 5-PROPYLMORPHOLIN-3-ONE

CALCULATED PROPERTIES

• Acid pKa: 12.83321
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.23140731
• LogD (pH = 7.4): 0.23140591
• Log P: 0.23140733
• Molar Refractivity: 37.3908 cm^3
• Polarizability: 14.820513 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%