2,2-dimethoxyacetamide

• ChemBase ID: 38297
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: O(C(C(=O)N)OC)C
• Canonical SMILES: COC(C(=O)N)OC
• InChI: InChI=1S/C4H9NO3/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H2,5,6)
• InChIKey: NXDRRCFVRXDPOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethoxyacetamide
• IUPAC Traditional name: 2,2-dimethoxyacetamide
• Synonyms: 2,2-Dimethoxyacetamide

Database IDs

• CAS Number: 83071-00-5
• MDL Number: MFCD00624169
• PubChem SID: 161001604
• PubChem CID: 2301641

CALCULATED PROPERTIES

• Acid pKa: 14.796661
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.85002303
• LogD (pH = 7.4): -0.85002303
• Log P: -0.85002303
• Molar Refractivity: 26.8689 cm^3
• Polarizability: 10.810944 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false