ethanimidic acid

• ChemBase ID: 105852
• Molecular Formular: C2H5NO
• Molecular Mass: 59.0672
• Monoisotopic Mass: 59.03711379
• SMILES: CC(=N)O
• Canonical SMILES: CC(=N)O
• InChI: InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
• InChIKey: DLFVBJFMPXGRIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanimidic acid
• IUPAC Traditional name: ethanimidic acid
• Synonyms: Acetic Acid Amide; ACETAMIDE

Database IDs

• CAS Number: 60-35-5
• EC Number: 200-473-5
• PubChem SID: 162092616
• PubChem CID: 178

CALCULATED PROPERTIES

• Acid pKa: 8.666441
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.122305
• LogD (pH = 7.4): -0.68843377
• Log P: -0.6139497
• Molar Refractivity: 25.4025 cm^3
• Polarizability: 5.617952 Å^3
• Polar Surface Area: 44.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81
• Boiling Point: 221.2°C
• Density: 1.159 g/ml
• Vapor Pressure: 10 mm Hg at 105 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AB4025000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3077
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:40
• Safety Statements: S:36/37
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171

DETAILS

MP Biomedicals - 02194799

Molecular Biology Reagent
A 5% (w/v) aqueous acetamide added to PCR mixtures reduces non-specific annealing of primers and prevents amplification of replication artifacts.

REFERENCES

• Reyesenbach, A.L., Appl. Environ. Microbiol., 58 : 3417, (1992).