2,5,5-trimethylmorpholine

• ChemBase ID: 246428
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(COC(C1)C)(C)C
• Canonical SMILES: CC1CNC(CO1)(C)C
• InChI: InChI=1S/C7H15NO/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3
• InChIKey: HNEUNOOQVVWQNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,5-trimethylmorpholine
• IUPAC Traditional name: 2,5,5-trimethylmorpholine
• Synonyms: 2,5,5-trimethylmorpholine

Database IDs

• MDL Number: MFCD09722891
• PubChem SID: 164302338
• PubChem CID: 22689116

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.271601
• LogD (pH = 7.4): -0.7180538
• Log P: 0.7023478
• Molar Refractivity: 37.2437 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.149

Product Information

• Purity: 95%