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3,4-Methylenedioxy-N-ethylamphetamine(CAS NO.82801-81-8) is a white solid. It has the Synonyms of 3,4-Methylenedioxyethamphetamine; (+/-)-3,4-Methylenedioxyethylamphetamine; Aurora Ka-7747 ; (+/-)-Mdea; 1,3-Benzodioxole-5-Ethanamine, N-Ethyl-Alpha-Methyl-, Hydrochloride; 3,4-Methylendioxyethylamphetamin; 3,4-Methylenedioxy-N-Ethylamphetamine; 3,4-Methylendioxyethylamphetamin, >99% (Hplc). 3,4-Methylenedioxy-N-ethylamphetamine can be used as legal replacement for mdma.
Physical properties about 3,4-Methylenedioxy-N-ethylamphetamine are: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): -0.53; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.14; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 59.416 cm3; (13)Molar Volume: 192.141 cm3; (14)Polarizability: 23.554 10-24cm3; (15)Surface Tension: 40.2379989624023 dyne/cm; (16)Density: 1.079 g/cm3; (17)Flash Point: 122.137 °C; (18)Enthalpy of Vaporization: 53.978 kJ/mol; (19)Boiling Point: 299.764 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3;
(2)InChIKey=PVXVWWANJIWJOO-UHFFFAOYSA-N;
(3)SmilesCCNC(C)Cc1ccc2c(c1)OCO2;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | LDLo | oral | 19mg/kg (19mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Forensic Science International. Vol. 91, Pg. 91, 1998. |