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| CAS No.: | 69610-10-2 |
|---|---|
| Name: | 1-benzo[1,3]dioxol-5-yl-N-methyl-propan-2-amine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H15NO2 |
| Molecular Weight: | 193.246 |
| Synonyms: | (±)-N-Methyl-1-(3,4-methylenedioxyphenyl)-2-aminopropane;3,4-Methylenedioxy-N,a-dimethyl-b-phenylethylamine;3,4-Methylenedioxy-N-methylamphetamine;DL-(3,4-Methylenedioxy)methamphetamine;Ecstasy;Methylenedioxymethamphetamine;N-Methyl-3,4-methylenedioxyamphetamine;XTC;Phenethylamine,N,a-dimethyl-3,4-methylenedioxy-(6CI);(RS)-3,4-(Methylenedioxy)methamphetamine; |
| Density: | 1.1 g/cm3 |
| Boiling Point: | 283.39 °C at 760 mmHg |
| Flash Point: | 113.23 °C |
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- Total:36 Page 1 of 1 1
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Specification
The CAS register number of 1,3-Benzodioxole-5-ethanamine,N,a-dimethyl- is 69610-10-2. It also can be called as (±)-N-Methyl-1-(3,4-methylenedioxyphenyl)-2-aminopropane and the IUPAC name about this chemical is 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine. The molecular formula about this chemical is C11H15NO2 and the molecular weight is 193.2423.
Physical properties about 1,3-Benzodioxole-5-ethanamine,N,a-dimethyl- are: (1)ACD/LogP: 2.05; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 30.49Å2; (10)Index of Refraction: 1.536; (11)Molar Refractivity: 54.783 cm3; (12)Molar Volume: 175.635 cm3; (13)Polarizability: 21.718x10-24cm3; (14)Surface Tension: 40.893 dyne/cm; (15)Enthalpy of Vaporization: 52.231 kJ/mol; (16)Boiling Point: 283.39 °C at 760 mmHg; (17)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(Cc1ccc2c(c1)OCO2)NC
(2)InChI: InChI=1/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)InChIKey: SHXWCVYOXRDMCX-UHFFFAOYAM
(4)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
(5)Std. InChIKey: SHXWCVYOXRDMCX-UHFFFAOYSA-N