N-Ethylglycinexylidide supplier

Name
MONOETHYLGLYCINEXYLIDIDE
EINECS
CAS No. 7728-40-7
Article Data12
CAS DataBase
Density 1.047g/cm³
Solubility
Melting Point 242-245°C
Formula C₁₂H₁₈N₂O
Boiling Point 335.6 °C at 760 mmHg
Molecular Weight 206.288
Flash Point 127.8 °C
Transport Information
Appearance
Safety 45
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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;
PSA 41.13000
LogP 2.31530

N-Ethylglycinexylidide Specification

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.

Product Name

MONOETHYLGLYCINEXYLIDIDE

N-Ethylglycinexylidide Specification

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