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| CAS No.: | 42542-10-9 |
|---|---|
| Name: | (+/-)-3,4-METHYLENEDIOXYMETHAMPHETAMINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H15NO2 |
| Molecular Weight: | 193.246 |
| Synonyms: | 1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl-;HSDB 6929;(+-)-(3,4-Methylenedioxy)methamphetamine;(+-)-N-Methyl-1-(3,4-methylenedioxyphenyl)-2-aminopropane;(RS)-3,4-(methylenedioxy)methamphetamine;3,4-Methylenedioxy-N,alpha-dimethyl-beta-phenylethylamine;CCRIS 9277;Methylenedioxymethamphetamine; |
| EINECS: | 200-659-6 |
| Density: | 1.1 g/cm3 |
| Boiling Point: | 283.39 °C at 760 mmHg |
| Flash Point: | 113.23 °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 7-16-36/37-45 |
| PSA: | 30.49000 |
| LogP: | 1.95660 |
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Specification
The N-Methyl-3,4-methylenedioxyamphetamine, with the CAS registry number 42542-10-9, is also known as 3,4-Methylenedioxy-N,alpha-dimethyl-beta-phenylethylamine. This chemical's molecular formula is C11H15NO2 and molecular weight is 193.24. What's more, its systematic name is 1-(1,3-Benzodioxol-5-yl)-N-methyl-2-propanamine. Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic uptake inhibitors; (3)Central Nervous System Agents; (4)Drug / Therapeutic Agent; (5)Hallucinogens; (6)Neurotransmitter Agents; (7)Neurotransmitter Uptake Inhibitors; (8)Psychotropic Drugs; (9)Serotonin agents. This chemical is an N-substituted amphetamine analog. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. It is commonly referred to as MDMA or ecstasy.
Physical properties of N-Methyl-3,4-methylenedioxyamphetamine are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 30.49 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 54.783 cm3; (15)Molar Volume: 175.635 cm3; (16)Polarizability: 21.718×10-24cm3; (17)Surface Tension: 40.89 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 113.23 °C; (20)Enthalpy of Vaporization: 52.231 kJ/mol; (21)Boiling Point: 283.39 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
Preparation of N-Methyl-3,4-methylenedioxyamphetamine: this chemical can be prepared by benzo[1,3]dioxol-5-yl-propan-2-one and methylamine. This reaction will need reagent NaBH3CN. The yield is about 74%.
![N-Methyl-3,4-methylenedioxyamphetamine can be prepared by benzo[1,3]dioxol-5-yl-propan-2-one and methylamine](/UserFilesUpload/Preparation of N-Methyl-3,4-methylenedioxyamphetamine.jpeg)
You can still convert the following datas into molecular structure:
(1)SMILES: CC(Cc1ccc2c(c1)OCO2)NC
(2)Std. InChI: InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
(3)Std. InChIKey: SHXWCVYOXRDMCX-UHFFFAOYSA-N