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| CAS No.: | 754-10-9 |
|---|---|
| Name: | PIVALAMIDE |
| Molecular Structure: | |
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| Formula: | C5H11NO |
| Molecular Weight: | 101.148 |
| Synonyms: | Pivalamide(6CI,7CI,8CI);2,2-Dimethylpropanamide;NSC 17584;Neopentanamide;Pivalic acid amide;Trimethylacetamide;a,a-Dimethylpropionamide; |
| EINECS: | 212-043-4 |
| Density: | 0.903 g/cm3 |
| Melting Point: | 154-157 °C |
| Boiling Point: | 206.6 °C at 760 mmHg |
| Flash Point: | 78.7 °C |
| Appearance: | white to very slightly yellow crystalline powder |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 43.09000 |
| LogP: | 1.21810 |
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Specification
The Propanamide,2,2-dimethyl- with CAS registry number of 754-10-9 is also called Pivalamide and Trimethylacetamide. It is the amide of pivalic acid, which is white to very slightly yellow crystalline powder. Both systematic name and IUPAC name are the same which is called 2,2-dimethylpropanamide. Its EINECS registry number is 212-043-4.
Physical properties about this chemical are: (1) ACD/LogP: -0.01; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.01; (4) ACD/LogD (pH 7.4): -0.01; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 23.64; (8) ACD/KOC (pH 7.4): 23.64; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 20.31 Å2; (13) Index of Refraction: 1.427; (14) Molar Refractivity: 28.74 cm3; (15) Molar Volume: 111.9 cm3; (16) Polarizability: 11.39×10-24 cm3; (17) Surface Tension: 29.2 dyne/cm; (18) Density: 0.903 g/cm3; (19) Flash Point: 78.7 °C; (20) Enthalpy of Vaporization: 44.28 kJ/mol; (21) Boiling Point: 206.6 °C at 760 mmHg; (22) Vapour Pressure: 0.236 mmHg at 25°C.
Preparation of Propanamide,2,2-dimethyl-: this chemical is prepared by 2,2-Dimethyl-propanenitrile.
The reaction needs reagent MnO2/SiO2 and solvent 2,2,4-trimethyl-pentane. And other condition is heating for 48 hours. The yield is 93%.
Uses of Propanamide,2,2-dimethyl-: it is used to produce dineopentyl-amine.
This reaction occurs with reagent LiAlH4. The yield is 71.6%.
When you are using this chemical, please be cautious about it as the following:
Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)C(C)(C)C;
(2) InChI: InChI=1/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7);
(3) InChIKey: XIPFMBOWZXULIA-UHFFFAOYAC;
(4) Std. InChI: InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7);
(5) Std. InChIKey: XIPFMBOWZXULIA-UHFFFAOYSA-N