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Ethcathinone

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Name Ethcathinone EINECS
CAS No. 18259-37-5 Density 0.986 g/cm3
Solubility Melting Point
Formula C11H17NO Boiling Point 272.308 °C at 760 mmHg
Molecular Weight 177.24 Flash Point 105.034 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 18259-37-5 (1-Propanone, 2-(ethylamino)-1-phenyl-) Hazard Symbols
Synonyms

1-Phenyl-2-(ethylamino)-1-propanone;UR 1424;N-Ethylaminopropiophenone;2-(Ethylamino)-1-phenyl-1-propanone;

 

Specification

The Ethcathinone, with the CAS registry number 18259-37-5, is also known as 1-Phenyl-2-(ethylamino)-1-propanone. This chemical's molecular formula is C11H15NO and molecular weight is 177.24. What's more, its systematic name is 2-(Ethylamino)-1-phenyl-1-propanone. This chemical is a stimulant drug of the phenethylamine, amphetamine, and cathinone chemical classes. It is an active metabolite of the prodrug diethylcathinone and is fully responsible for its effects.

Physical properties of Ethcathinone are: (1)ACD/LogP: 1.926; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 11.07; (7)ACD/KOC (pH 5.5): 6.17; (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: 35.0 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: O=C(c1ccccc1)C(NCC)C
(2)Std. InChI: InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
(3)Std. InChIKey: LYMHIBZGTAPASQ-UHFFFAOYSA-N

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