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| CAS No.: | 71539-34-9 |
|---|---|
| Name: | 2,5-DIMETHOXY-4-ETHYL PHENETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C12H19NO2 |
| Molecular Weight: | 209.288 |
| Synonyms: | 2-(4-Ethyl-2,5-dimethoxyphenyl)ethanamine;4-Ethyl-2,5-dimethoxy-b-phenethylamine;2C-E; |
| Density: | 1.012 g/cm3 |
| Boiling Point: | 312.573 °C at 760 mmHg |
| Flash Point: | 155.974 °C |
| PSA: | 44.48000 |
| LogP: | 2.46770 |
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Specification
The 2,5-Dimethoxy-4-ethylphenethylamine, with the CAS registry number 71539-34-9, is also known as 4-Ethyl-2,5-dimethoxy-b-phenethylamine. It belongs to the product categories of Research Chemical; Chemical for Research; Pharmaceutical raw materials; Research chemicals. This chemical's molecular formula is C12H19NO2 and molecular weight is 209.28. What's more, its systematic name is 2-(4-Ethyl-2,5-dimethoxyphenyl)ethanamine.
Physical properties of 2,5-Dimethoxy-4-ethylphenethylamine are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.74; (4)ACD/LogD (pH 7.4): 0.07; (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): 2.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.48 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 62.244 cm3; (15)Molar Volume: 206.75 cm3; (16)Polarizability: 24.675×10-24cm3; (17)Surface Tension: 35.0 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 155.974 °C; (20)Enthalpy of Vaporization: 55.358 kJ/mol; (21)Boiling Point: 312.573 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(CC)c(cc1CCN)OC
(2)Std. InChI: InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
(3)Std. InChIKey: VDRGNAMREYBIHA-UHFFFAOYSA-N