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CAS No.: | 163163-24-4 |
---|---|
Name: | (-)-[3R,4S]-CHROMANOL 293B |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C15H20N2O4S |
Molecular Weight: | 324.401 |
Synonyms: | (-)-Chromanol 293B;Ethanesulfonamide,N-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-methyl-,trans-(-)-; |
Density: | 1.33 g/cm3 |
Boiling Point: | 474.1 °C at 760 mmHg |
Flash Point: | 240.6 °C |
Solubility: | DMSO: 18 mg/mL |
Appearance: | White solid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36/37-7/9 |
PSA: | 99.01000 |
LogP: | 2.49358 |
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The Ethanesulfonamide,N-[(3R,4S)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methyl- is an organic compound with the formula C15H20N2O4S. The systematic name of this chemical is N-[(3R,4S)-6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-N-methylethanesulfonamide. With the CAS registry number 163163-24-4, it is also named as (3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide. The product's category is Potassium channel. Besides, it should be stored at -20°C.
Physical properties about Ethanesulfonamide,N-[(3R,4S)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-methyl- are: (1)ACD/LogP: 2.02; (2)ACD/LogD (pH 5.5): 2.02; (3)ACD/LogD (pH 7.4): 2.02; (4)ACD/BCF (pH 5.5): 20.31; (5)ACD/BCF (pH 7.4): 20.31; (6)ACD/KOC (pH 5.5): 300.36; (7)ACD/KOC (pH 7.4): 300.36; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 88.01 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 82.25 cm3; (14)Molar Volume: 243 cm3; (15)Polarizability: 32.6×10-24 cm3; (16)Surface Tension: 59.8 dyne/cm; (17)Density: 1.33 g/cm3; (18)Flash Point: 240.6 °C; (19)Enthalpy of Vaporization: 77.68 kJ/mol; (20)Boiling Point: 474.1 °C at 760 mmHg; (21)Vapour Pressure: 8.52E-10 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Keep container tightly closed and in a well-ventilated place. When you are using it, wear suitable protective clothing, gloves.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
(2)InChIKey: HVSJHHXUORMCGK-UONOGXRCBE
(3)Std. InChI: InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
(4)Std. InChIKey: HVSJHHXUORMCGK-UONOGXRCSA-N