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CAS No.: | 88441-14-9 |
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Name: | 2,5-Dimethoxy-4-Propylthiophen |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H14ClNO2 |
Molecular Weight: | 215.68 |
Synonyms: | 4-Chloro-2,5-dimethoxyphenethylamine;2C-C; |
Density: | 1.16 g/cm3 |
Boiling Point: | 316.1 °C at 760 mmHg |
Flash Point: | 144.973 °C |
PSA: | 44.48000 |
LogP: | 2.55870 |
The 2,5-Dimethoxy-4-chlorophenylethylamine, with the CAS registry number 88441-14-9, is also known as Benzeneethanamine, 4-chloro-2,5-dimethoxy-. This chemical's molecular formula is C10H14ClNO2 and molecular weight is 215.68. What's more, its systematic name is 2-(4-Chloro-2,5-dimethoxyphenyl)ethanamine. This chemical is a psychedelic drug of the 2C family. It was first synthesized by Alexander Shulgin, sometimes used as an entheogen.
Physical properties of 2,5-Dimethoxy-4-chlorophenylethylamine are: (1)ACD/LogP: 2.116; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): 0.17; (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): 3.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.48 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 57.589 cm3; (15)Molar Volume: 185.883 cm3; (16)Polarizability: 22.83×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 144.973 °C; (20)Enthalpy of Vaporization: 55.74 kJ/mol; (21)Boiling Point: 316.1 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(CCN)c(cc1Cl)OC
(2)Std. InChI: InChI=1S/C10H14ClNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
(3)Std. InChIKey: CGKQFIWIPSIVAS-UHFFFAOYSA-N