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Basic Information
CAS No.: 317323-77-6
Name: trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-[(4-toluenesulfonyloxy)methyl]piperidine
Article Data: 4
Molecular Structure:
Molecular Structure of 317323-77-6 (trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-[(4-toluenesulfonyloxy)methyl]piperidine)
Formula: C20H24FNO3S
Molecular Weight: 377.48
Synonyms: 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 4-methylbenzenesulfonate (ester), (3S,4R)- (9CI);
Density: 1.195 g/cm3
Melting Point: 117-118°C
Boiling Point: 496.23 °C at 760 mmHg
Flash Point: 253.911 °C
Appearance: Brown Solid
PSA: 54.99000
LogP: 4.59360
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Chemistry

Following is the structure of 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)- (CAS NO.317323-77-6):
                                
Empirical Formula: C20H24FNO3S
Molecular Weight: 377.4729
Molar Volume: 315.773 cm3
Molar Refractivity: 100.968 cm3
Polarizability: 40.027 10-24cm3
Density: 1.195 g/cm3
Flash Point: 253.911 °C
Index of Refraction: 1.552
Surface Tension: 40.449 dyne/cm
Enthalpy of Vaporization: 76.395 kJ/mol
Boiling Point: 496.23 °C at 760 mmHg 
Appearance of 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)- (CAS NO.317323-77-6): Brown Solid
Product Categories: API intermediates; Aromatics; Chiral Reagents; Heterocycles; Sulfur & Selenium Compounds
SMILES: CN2CC[C@@H]([C@@H](COS(=O)(=O)c1ccc(C)cc1)C2)c3ccc(F)cc3
InChI: InChI=1/C20H24FNO3S/c1-15-3-9-19(10-4-15)26(23,24)25-14-17-13-22(2)12-11-20(17)16-5-7-18(21)8-6-16/h3-10,17,20H,11-14H2,1-2H3/t17-,20-/m1/s1
InChIKey: LYVSPZZHZZMALL-YLJYHZDGBH

Specification

 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)- , its cas register number 317323-77-6. It also can be called [(3R,4S)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate .