2-(2,6-dimethylmorpholin-4-yl)-2-methylpropanal

• ChemBase ID: 40930
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N1(C(C=O)(C)C)CC(OC(C1)C)C
• Canonical SMILES: O=CC(N1CC(C)OC(C1)C)(C)C
• InChI: InChI=1S/C10H19NO2/c1-8-5-11(6-9(2)13-8)10(3,4)7-12/h7-9H,5-6H2,1-4H3
• InChIKey: YSDOSIHLBOUADT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)-2-methylpropanal
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)-2-methylpropanal
• Synonyms: 2-(2,6-Dimethylmorpholino)-2-methylpropanal

Database IDs

• MDL Number: MFCD08056618
• PubChem SID: 162045693
• PubChem CID: 18525989

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.027369834
• LogD (pH = 7.4): 1.0665991
• Log P: 1.1257162
• Molar Refractivity: 52.2666 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Condition: Store under N2 at 4°C
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%