2-acetamidoacetamide

• ChemBase ID: 128499
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: CC(=O)NCC(=O)N
• Canonical SMILES: CC(=O)NCC(=O)N
• InChI: InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)
• InChIKey: WQELDIQOHGAHEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamidoacetamide
• IUPAC Traditional name: N-acetylglycinamide
• Synonyms: 2-Acetamidoacetamide; Nα-Acetylglycinamide; N-Acetyl-2-aminoacetamide; N-Acetylglycinamide; Ac-Gly-NH_2; N-Acetylglycinamide; 乙酰谷酰胺; Nα-乙酰基甘氨酰胺; N-乙酰基甘氨脒

Database IDs

• CAS Number: 2620-63-5
• EC Number: 220-058-2
• MDL Number: MFCD00008029
• Beilstein Number: 1753982
• PubChem SID: 24856939; 162222806
• PubChem CID: 28326
• Chemspider ID: 26351
• MeSH Name: N-acetylglycinamide
• Wikipedia Title: N-Acetylglycinamide

CALCULATED PROPERTIES

• Acid pKa: 13.060072
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1355715
• LogD (pH = 7.4): -2.1355724
• Log P: -2.1355715
• Molar Refractivity: 27.2694 cm^3
• Polarizability: 10.616618 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White crystals
• Melting Point: 136-140°C; 140 - 143°C; 140-143 °C(lit.)
• Odor: Odourless

Safety Information

• RTECS: MB7507000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; r36/37/38
• Safety Statements: 26-37/39; s26, s37/39
• TSCA Listed: 否
• GHS Pictograms: GHS exclamation mark; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 315, 319, 335; H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CH3CONHCH2CONH2

DETAILS

Sigma Aldrich - 280216

Packaging
1 g in glass bottle