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101767-83-3

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Basic Information
CAS No.: 101767-83-3
Name: 1-Benzyl-3-(phenylsulfonyl)pyrrolidine
Article Data: 5
Molecular Structure:
Molecular Structure of 101767-83-3 (1-Benzyl-3-(phenylsulfonyl)pyrrolidine)
Formula: C17H19NO2S
Molecular Weight: 301.4
Synonyms: 1-benzyl-3-(phenylsulfonyl)pyrrolidine;N-benzyl-3-(phenylsulfonyl)pyrrolidine;Pyrrolidine,1-(phenylmethyl)-3-(phenylsulfonyl);
Density: 1.228g/cm3
Boiling Point: 469.6 °C at 760 mmHg
Flash Point: 237.8 °C
PSA: 45.76000
LogP: 3.75350
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Specification

The 1-Benzyl-3-(phenylsulfonyl)pyrrolidine, with CAS registry number 101767-83-3, has the systematic name of 1-benzyl-3-(phenylsulfonyl)pyrrolidine. And the chemical formula of this chemical is C17H19NO2S.

Physical properties about this chemical are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.611; (8)Molar Refractivity: 85.25 cm3; (9)Molar Volume: 245.3 cm3; (10)Polarizability: 33.79×10-24cm3; (11)Surface Tension: 49.9 dyne/cm; (12)Enthalpy of Vaporization: 73.2 kJ/mol; (13)Vapour Pressure: 5.43E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)C3CCN(Cc2ccccc2)C3
(2)InChI: InChI=1/C17H19NO2S/c19-21(20,16-9-5-2-6-10-16)17-11-12-18(14-17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
(3)InChIKey: OTTOUOKAVIJSMY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C17H19NO2S/c19-21(20,16-9-5-2-6-10-16)17-11-12-18(14-17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
(5)Std. InChIKey: OTTOUOKAVIJSMY-UHFFFAOYSA-N