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| CAS No.: | 7206-76-0 |
|---|---|
| Name: | 2-Ethyl-2-phenylmalonamide |
| Molecular Structure: | |
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| Formula: | C11H14N2O2 |
| Molecular Weight: | 206.244 |
| Synonyms: | Malonamide,2-ethyl-2-phenyl- (6CI,7CI,8CI);2-Ethyl-2-phenylmalonamide;2-Ethyl-2-phenylmalondiamide;2-Phenyl-2-ethylmalondiamide;Ethylphenylmalondiamide;PEMA;PEMA (amide);Phenylethylmalonamide;Phenylethylmalondiamide; |
| EINECS: | 230-583-9 |
| Density: | 1.183 g/cm3 |
| Melting Point: | 120 °C |
| Boiling Point: | 440.9 °C at 760 mmHg |
| Flash Point: | 220.5 °C |
| Solubility: | Insoluble in water |
| Appearance: | White Crystalline Solid |
| PSA: | 86.18000 |
| LogP: | 1.70560 |
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Specification
The CAS register number of 2-Ethyl-2-phenylmalonamide is 7206-76-0. It also can be called as 2-Ethyl-2-phenylmalonamide monohydrate and the IUPAC name about this chemical is 2-ethyl-2-phenylpropanediamide. The molecular formula about this chemical is C11H14N2O2 and the molecular weight is 206.24. It belongs to the following product categories, such as Chemical Amines; Amines; Aromatics; Metabolites & Impurities and so on. This chemical is a metabolite of Primidone.
Physical properties about 2-Ethyl-2-phenylmalonamide are: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.04; (7)ACD/KOC (pH 7.4): 28.04; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 40.62Å2; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 56.4 cm3; (14)Molar Volume: 174.2 cm3; (15)Polarizability: 22.35x10-24cm3; (16)Surface Tension: 50 dyne/cm; (17)Enthalpy of Vaporization: 69.82 kJ/mol; (18)Boiling Point: 440.9 °C at 760 mmHg; (19)Vapour Pressure: 5.66E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-ethyl-2-hydroxy-5-phenyl-dihydro-pyrimidine-4,6-dione. This reaction will need reagent NaOH and solvent H2O. The reaction time is 8 hour(s) with reaction temperature of 20 ℃. The yield is about 768%.
Uses of 2-Ethyl-2-phenylmalonamide: it can be used to produce ethyl-phenyl-malononitrile at temperature of 20-25 °C. This reaction will need reagent P2O5 with reaction time of 12 hours. The yield is about 50%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(C(=O)N)(c1ccccc1)CC
(2)InChI: InChI=1/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
(3)InChIKey: JFZHPFOXAAIUMB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
(5)Std. InChIKey: JFZHPFOXAAIUMB-UHFFFAOYSA-N