5-ethyl-2-methylmorpholine

• ChemBase ID: 232899
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(OCC1CC)C
• Canonical SMILES: CCC1COC(CN1)C
• InChI: InChI=1S/C7H15NO/c1-3-7-5-9-6(2)4-8-7/h6-8H,3-5H2,1-2H3
• InChIKey: MNGOCGNQLBTUAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-methylmorpholine
• IUPAC Traditional name: 5-ethyl-2-methylmorpholine
• Synonyms: 5-ethyl-2-methylmorpholine

Database IDs

• CAS Number: 743444-85-1
• MDL Number: MFCD05263209
• PubChem SID: 164288809
• PubChem CID: 3613548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.04759
• LogD (pH = 7.4): -0.5140159
• Log P: 0.9442935
• Molar Refractivity: 37.1295 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 1.159

Product Information

• Purity: 95%