N,N'-dimethoxy-N'',N'''-dimethylethanediamide

• ChemBase ID: 158270
• Molecular Formular: C6H12N2O4
• Molecular Mass: 176.17048
• Monoisotopic Mass: 176.07970687
• SMILES: CN(C(=O)C(=O)N(C)OC)OC
• Canonical SMILES: CON(C(=O)C(=O)N(OC)C)C
• InChI: InChI=1S/C6H12N2O4/c1-7(11-3)5(9)6(10)8(2)12-4/h1-4H3
• InChIKey: OXSWGKZLVLVHIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dimethoxy-N'',N'''-dimethylethanediamide
• IUPAC Traditional name: N,N'-dimethoxy-N'',N'''-dimethylethanediamide
• Synonyms: N,N′-Dimethoxy-N,N′-dimethyloxamide; N,N′-二甲氧基-N,N′-二甲基草酰胺

Database IDs

• CAS Number: 106675-70-1
• MDL Number: MFCD02326951
• Beilstein Number: 5330464
• PubChem SID: 162252406; 24845679
• PubChem CID: 3287678

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.68072665
• LogD (pH = 7.4): -0.68072665
• Log P: -0.68072665
• Molar Refractivity: 40.3702 cm^3
• Polarizability: 15.7718935 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89-95 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0%
• Linear Formula: CH3O(CH3)NCOCON(CH3)OCH3

DETAILS

Sigma Aldrich - 04109

Other Notes
A useful α-keto amide and 1,2-diketone synthon. 1,2