2,2-diethoxyacetamide

• ChemBase ID: 123408
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(=O)(C(OCC)OCC)N
• Canonical SMILES: CCOC(C(=O)N)OCC
• InChI: InChI=1S/C6H13NO3/c1-3-9-6(5(7)8)10-4-2/h6H,3-4H2,1-2H3,(H2,7,8)
• InChIKey: DSKGWFQMJHBHRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethoxyacetamide
• IUPAC Traditional name: 2,2-diethoxyacetamide
• Synonyms: 2,2-diethoxyacetamide; Glyoxylic amide diethyl acetal; 2,2-Diethoxyacetamide; 乙醛酰胺缩二乙醇; 2,2-二乙氧基乙酰胺

Database IDs

• CAS Number: 61189-99-9
• EC Number: 262-647-7
• MDL Number: MFCD00044023
• Beilstein Number: 1760414
• PubChem SID: 24863069; 162217761
• PubChem CID: 100765

CALCULATED PROPERTIES

• Acid pKa: 14.905439
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.13640715
• LogD (pH = 7.4): -0.13640715
• Log P: -0.13640714
• Molar Refractivity: 36.3661 cm^3
• Polarizability: 14.443201 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-78 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 97%
• Linear Formula: (CH3CH2O)2CHCONH2

DETAILS

Sigma Aldrich - 370452

Packaging
10 g in glass bottle