1-Benzyl-3-(phenylsulfonyl)pyrrolidine supplier

Name
1-Benzyl-3-(phenylsulfonyl)pyrrolidine
EINECS
CAS No. 101767-83-3
Article Data5
CAS DataBase
Density 1.228g/cm³
Solubility
Melting Point
Formula C₁₇H₁₉NO₂S
Boiling Point 469.6 °C at 760 mmHg
Molecular Weight 301.4
Flash Point 237.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-benzyl-3-(phenylsulfonyl)pyrrolidine;N-benzyl-3-(phenylsulfonyl)pyrrolidine;Pyrrolidine,1-(phenylmethyl)-3-(phenylsulfonyl);
PSA 45.76000
LogP 3.75350

1-Benzyl-3-(phenylsulfonyl)pyrrolidine 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

Product Name

1-Benzyl-3-(phenylsulfonyl)pyrrolidine

1-Benzyl-3-(phenylsulfonyl)pyrrolidine Specification

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