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CAS No.: | 408332-79-6 |
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Name: | Buphedrone |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H15NO |
Molecular Weight: | 177.246 |
Synonyms: | 1-Butanone, 2-(methylamino)-1-phenyl-;2-(Methylamino)-1-phenyl-butan-1-one;α-Methylamino-butyrophenone; |
Density: | 0.986 g/cm3 |
Boiling Point: | 272.308 °C at 760 mmHg |
Flash Point: | 105.034 °C |
PSA: | 29.10000 |
LogP: | 2.25820 |
The Buphedrone, with the CAS registry number 408332-79-6, is also known as 1-Butanone, 2-(methylamino)-1-phenyl-. This chemical's molecular formula is C11H15NO and molecular weight is 177.24. What's more, its Superlist Name is Buphedrone and systematic name is 2-(methylamino)-1-phenyl-butan-1-one. It is a stimulant of the phenethylamine and cathinone chemical classes that was first synthesized in 1928. It has similar effects to methcathinone but is several times more potent by weight.
Physical properties of Buphedrone are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.292; (4)ACD/LogD (pH 7.4): 1.737; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11.07; (7)ACD/KOC (pH 5.5): 6.168; (8)ACD/KOC (pH 7.4): 171.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 53.733 cm3; (15)Molar Volume: 179.677 cm3; (16)Polarizability: 21.301×10-24cm3; (17)Surface Tension: 35.04 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 105.034 °C; (20)Enthalpy of Vaporization: 51.059 kJ/mol; (21)Boiling Point: 272.308 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC(C(=O)c1ccccc1)NC;
(2)Std. InChI: InChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3;
(3)Std. InChIKey: DDPMGIMJSRUULN-UHFFFAOYSA-N;