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| CAS No.: | 21678-37-5 |
|---|---|
| Name: | N,N,2-TRIMETHYLPROPIONAMIDE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H13NO |
| Molecular Weight: | 115.175 |
| Synonyms: | N,N,2-Trimethylpropionamide,99%; |
| Density: | 0.87 g/cm3 |
| Boiling Point: | 173.2 °C at 760 mmHg |
| Flash Point: | 63.7 °C |
| Solubility: | Soluble in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.31000 |
| LogP: | 0.73060 |
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Specification
The N,N-Dimethylisobutyramide, with the CAS registry number of 21678-37-5, is also known as N,N,2-Trimethylpropionamide,99%. This chemical's molecular formula is C6H13NO and molecular weight is 115.17. What's more, its IUPAC name is N,N,2-Trimethylpropanamide. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the N,N-Dimethylisobutyramide are: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.42; (8)Molar Refractivity: 33.55 cm3; (9)Molar Volume: 132.3 cm3; (10)Surface Tension: 26 dyne/cm; (11)Density: 0.87 g/cm3; (12)Flash Point: 63.7 °C; (13)Enthalpy of Vaporization: 40.95 kJ/mol; (14)Boiling Point: 173.2 °C at 760 mmHg; (15)Vapour Pressure: 1.28 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Dimethylamine with Isobutyryl chloride. The reaction needs solvents CH2Cl2 and H2O. The yield is about 85 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce N,N-Dimethyl-isothiobutyramid. This reaction needs reagent Phosphorus pentasulfide. Meanwhile, it needs solvent Dioxane. The reaction time is 1 h with reaction temperature of 100 °C. The yield is about 76.3 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N(C)C)C(C)C
(2) InChI: InChI=1/C6H13NO/c1-5(2)6(8)7(3)4/h5H,1-4H3
(3) InChIKey: GXMIHVHJTLPVKL-UHFFFAOYAB