InChI: | InChI=1/C20H27NOSi/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,21H,10,15-16H2,1-3H3/t19-/m0/s1 |
Specification: |
The (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol trimethylsilyl ether with the cas number 848821-58-9, is also called (1)pyrrolidine, 2-[diphenyl[(trimethylsilyl)oxy]methyl]-, (2S)- (2S)-2-[Diphenyl[(trimethylsilyl)oxy]methyl]pyrrolidine; (2)(S)-(-)-ALPHA,ALPHA-diphenyl-2-pyrrolidine methanol trimethylsilyl ether; (3)(S)-2-[Diphenyl(trimethylsilanyloxy)methyl]pyrrolidine; (4)(S)-alpha,alpha-Diphenylprolinol trimethylsilyl ether and so on.
Physical properties about this chemical are: (1)ACD/LogP: 5.29 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 2.2 ; (4)ACD/LogD (pH 7.4): 2.44 ; (5)ACD/BCF (pH 5.5): 4.97 ; (6)ACD/BCF (pH 7.4): 8.62 ; (7)ACD/KOC (pH 5.5): 14.46 ; (8)ACD/KOC (pH 7.4): 25.08 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 5 ; (12)Polar Surface Area: 12.47 ?2 ; (13)Index of Refraction: 1.535 ; (14)Molar Refractivity: 99.29 cm3 ; (15)Molar Volume: 318.6 cm3 ; (16)Polarizability: 39.36 10-24cm3 ; (17)Surface Tension: 33.8 dyne/cm ; (18)Density: 1.021 g/cm3 ; (19)Flash Point: 203.4 °C ; (20)Enthalpy of Vaporization: 66.54 kJ/mol ; (21)Boiling Point: 412.7 °C at 760 mmHg ; (22)Vapour Pressure: 5.06E-07 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following: It is irritating to eyes, respiratory system and skin. In case of contact with eyes, flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes when contact with skin. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Then, use water spray, dry chemical, carbon dioxide, or chemical foam to put out the fire.
You can still convert the following datas into molecular structure :
(1) SMILES: O([Si](C)(C)C)C(c1ccccc1)(c2ccccc2)[C@H]3NCCC3
(2) InChI:InChI=1/C20H27NOSi/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,21H,10,15-16H2,1-3H3/t19-/m0/s1
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