N-acetyl-N-[2-(N-acetylacetamido)ethyl]acetamide

• ChemBase ID: 111086
• Molecular Formular: C10H16N2O4
• Molecular Mass: 228.24504
• Monoisotopic Mass: 228.111007
• SMILES: CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
• Canonical SMILES: CC(=O)N(C(=O)C)CCN(C(=O)C)C(=O)C
• InChI: InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
• InChIKey: BGRWYDHXPHLNKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-acetyl-N-[2-(N-acetylacetamido)ethyl]acetamide
• IUPAC Traditional name: tetraacetylethylenediamine; N-acetyl-N-[2-(N-acetylacetamido)ethyl]acetamide
• Synonyms: N,N′-Ethylenebis(diacetamide); N,N,N′,N′-Tetraacetylethylenediamine; TETRACETYLETHYLENEDIAMINE; N,N,N',N'-Tetraacetylethylenediamine; N,N′-乙烯双(二乙酰胺); N,N,N′,N′-四乙酰基乙二胺; N,N,N',N'-四乙酰基乙二胺

Database IDs

• CAS Number: 10543-57-4
• EC Number: 234-123-8
• MDL Number: MFCD00014967
• Beilstein Number: 1795711
• Merck Index: 149028
• PubChem SID: 162096539; 24888693
• PubChem CID: 66347

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8075329
• LogD (pH = 7.4): -1.8075329
• Log P: -1.8075329
• Molar Refractivity: 55.888 cm^3
• Polarizability: 21.83103 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149-153°C

Safety Information

• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (CHN); 99%
• Grade: technical
• Empirical Formula (Hill Notation): C10H16N2O4

DETAILS

MP Biomedicals - 05217676

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 86545

Packaging
50, 250 g in poly bottle