1-(morpholin-4-yl)nonan-1-one

• ChemBase ID: 111093
• Molecular Formular: C13H25NO2
• Molecular Mass: 227.3431
• Monoisotopic Mass: 227.18852905
• SMILES: CCCCCCCCC(=O)N1CCOCC1
• Canonical SMILES: CCCCCCCCC(=O)N1CCOCC1
• InChI: InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-13(15)14-9-11-16-12-10-14/h2-12H2,1H3
• InChIKey: NBRDJXSTGSUITP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)nonan-1-one
• IUPAC Traditional name: 4-nonanoylmorpholine
• Synonyms: 4-(1-Oxononyl)morpholine; N-Nonanoylmorpholine; 1-(4-Morpholino)-1-nonanone; 4-Morpholinenonylic acie; Pelargonic acid morpholide; Pelargonic morpholide; N-Morpholino nonanamide; 1-Morpholin-4-ylnonan-1-one; MPe; MPK; 4-Nonanoylmorpholine; N-PELARGONYL MORPHOLIDE

Database IDs

• CAS Number: 5299-64-9
• PubChem SID: 162096059
• PubChem CID: 79182
• Chemspider ID: 71509
• Wikipedia Title: 4-Nonanoylmorpholine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.56651
• LogD (pH = 7.4): 2.5665112
• Log P: 2.5665112
• Molar Refractivity: 65.5667 cm^3
• Polarizability: 25.84365 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Liquid
• Boiling Point: 310 - 315 °C

DETAILS

MP Biomedicals - 05217700

MP Biomedicals Rare Chemical collection