2,2-dimethoxy-N,N-dimethylacetamide

• ChemBase ID: 797768
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(C(=O)N(C)C)(OC)OC
• Canonical SMILES: COC(C(=O)N(C)C)OC
• InChI: InChI=1S/C6H13NO3/c1-7(2)5(8)6(9-3)10-4/h6H,1-4H3
• InChIKey: XQRILQRMHDAYOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethoxy-N,N-dimethylacetamide
• IUPAC Traditional name: 2,2-dimethoxy-N,N-dimethylacetamide
• Synonyms: 2,2-Dimethoxy-N,N-dimethyl-acetamide

Database IDs

• CAS Number: 25408-61-1

CALCULATED PROPERTIES

• Acid pKa: 14.881021
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.40267092
• LogD (pH = 7.4): -0.40267095
• Log P: -0.40267092
• Molar Refractivity: 36.6623 cm^3
• Polarizability: 14.443201 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%