ethanediamide

• ChemBase ID: 77998
• Molecular Formular: C2H4N2O2
• Molecular Mass: 88.06536
• Monoisotopic Mass: 88.02727738
• SMILES: NC(=O)C(=O)N
• Canonical SMILES: NC(=O)C(=O)N
• InChI: InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
• InChIKey: YIKSCQDJHCMVMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanediamide
• IUPAC Traditional name: oxamide
• Synonyms: Oxalic acid diamide; Oxamide; Oxalic diamide; Ethanediamide; Oxamide 98+%; 乙二酰二胺; 草酰胺

Database IDs

• CAS Number: 471-46-5
• EC Number: 207-442-5
• MDL Number: MFCD00008007
• Beilstein Number: 1743262
• Merck Index: 146918
• PubChem SID: 24898068; 162042834; 24886878
• PubChem CID: 10113

CALCULATED PROPERTIES

• Acid pKa: 13.407392
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8776368
• LogD (pH = 7.4): -1.8776364
• Log P: -1.8776368
• Molar Refractivity: 18.083 cm^3
• Polarizability: 7.018457 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); ca 350°C dec.
• Density: 1.667

Safety Information

• Storage Warning: Harmful/Irritant
• RTECS: RO4900000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/38; 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (N); 98%; 98+%
• Grade: purum
• Linear Formula: NH2COCONH2

DETAILS

Sigma Aldrich - O9328

Packaging
100 g in poly bottle