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Basic Information
CAS No.: 4479-75-8
Name: 3-methylbut-2-enamide
Molecular Structure:
Molecular Structure of 4479-75-8 (3-methylbut-2-enamide)
Formula: C5H9NO
Molecular Weight: 99.1326
Density: 0.941g/cm3
Boiling Point: 227.2°Cat760mmHg
Flash Point: 91.2°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
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Chemistry

Empirical Formula of Senecioic acid amide (CAS NO.4479-75-8): C5H9NO
Molecular Weight: 99.1311 g/mol
Index of Refraction: 1.457
Density: 0.941 g/cm3
Flash Point: 91.2 °C
Enthalpy of Vaporization: 46.38 kJ/mol
Boiling Point: 227.2 °C at 760 mmHg
Vapour Pressure: 0.0784 mmHg at 25 °C
Structure of Senecioic acid amide (CAS NO.4479-75-8):
                        
IUPAC Name: 3-Methylbut-2-enamide
Canonical SMILES: CC(=CC(=O)N)C
InChI: InChI=1S/C5H9NO/c1-4(2)3-5(6)7/h3H,1-2H3,(H2,6,7)
InChIKey: WHNPOQXWAMXPTA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:3561 mg/kg

     NEZAAQ    Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. 34 (1979),183.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition Senecioic acid amide (CAS NO.4479-75-8) emits toxic vapors of NOx.

Specification

 Senecioic acid amide , its cas register number is 4479-75-8. It also can be called 3-Methylcrotonamide ; 3,3-Dimethylacrylamide ; and Crotonamide, 3-methyl- .