2,2,3-trimethylmorpholine

• ChemBase ID: 239035
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(OCCNC1C)(C)C
• Canonical SMILES: CC1NCCOC1(C)C
• InChI: InChI=1S/C7H15NO/c1-6-7(2,3)9-5-4-8-6/h6,8H,4-5H2,1-3H3
• InChIKey: UOIGEGHPYLYHLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3-trimethylmorpholine
• IUPAC Traditional name: 2,2,3-trimethylmorpholine
• Synonyms: 2,2,3-trimethylmorpholine

Database IDs

• MDL Number: MFCD19226525
• PubChem SID: 164294945
• PubChem CID: 21829765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2894158
• LogD (pH = 7.4): -0.75570136
• 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%