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CAS No.: | 7728-40-7 |
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Name: | MONOETHYLGLYCINEXYLIDIDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C12H18N2O |
Molecular Weight: | 206.288 |
Synonyms: | Monoethylglycinexylidide;2-Ethylamino-2,6-acetoxylidine;Acetamide,N-(2,6-dimethylphenyl)-2-(ethylamino)-;L 86;L-86;3-12-00-02466 (Beilstein Handbook Reference);2-Ethylamino-2,6-acetoxylidide;N-(2,6-Dimethylphenyl)-2-(ethylamino)acetamide;2,6-ACETOXYLIDIDE, 2-(ETHYLAMINO)-;Ethylglycylxylidide;MEGX;Acetamide, N-(2,6-dimethylphenyl)-2-(ethylamino)- (9CI);N-(2,6-dimethylphenyl)-2-ethylamino-acetamide; |
Density: | 1.047g/cm3 |
Melting Point: | 242-245°C |
Boiling Point: | 335.6 °C at 760 mmHg |
Flash Point: | 127.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 45 |
PSA: | 41.13000 |
LogP: | 2.31530 |
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The N-Ethylglycinexylidide, with CAS registry number 7728-40-7, has the systematic name of N-(2,6-dimethylphenyl)-N2-ethylglycinamide. Besides this, it is also called Monoethylglycinexylidide. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C12H18N2O.
Physical properties of N-Ethylglycinexylidide: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.07; (7)ACD/KOC (pH 5.5): 1.75; (8)ACD/KOC (pH 7.4): 64.38; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 63.03 cm3; (15)Molar Volume: 196.8 cm3; (16)Polarizability: 24.98×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.047 g/cm3; (19)Flash Point: 127.8 °C; (20)Enthalpy of Vaporization: 57.87 kJ/mol; (21)Boiling Point: 335.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000118 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c(cccc1C)C)CNCC
(2)InChI: InChI=1/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)
(3)InChIKey: WRMRXPASUROZGT-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)
(5)Std. InChIKey: WRMRXPASUROZGT-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 234mg/kg (234mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 179, Pg. 580, 1971. |