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170456-83-4

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Basic Information
CAS No.: 170456-83-4
Name: 1-Tosyl-3-pyrrolidinol
Article Data: 11
Molecular Structure:
Molecular Structure of 170456-83-4 (1-Tosyl-3-pyrrolidinol)
Formula: C11H15NO3S
Molecular Weight: 241.311
Synonyms: 1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinol;
Density: 1.338 g/cm3
Melting Point: 88-100 °C
Boiling Point: 406.8 °C at 760 mmHg
Flash Point: 199.9 °C
Appearance: White Solid
PSA: 65.99000
LogP: 1.76900
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Specification

The 1-Tosyl-3-pyrrolidinol has CAS registry number 170456-83-4. This chemical's molecular formula is C11H15NO3S and molecular weight is 241.3067. What's more, its systematic name is 1-[(4-Methylphenyl)sulfonyl]pyrrolidin-3-ol.

Physical properties about 1-Tosyl-3-pyrrolidinol are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 54.99 Å2; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 62.06 cm3; (9)Molar Volume: 180.3 cm3; (10)Polarizability: 24.6×10-24 cm3; (11)Surface Tension: 56.1 dyne/cm; (12)Density: 1.338 g/cm3; (13)Flash Point: 199.9 °C; (14)Enthalpy of Vaporization: 69.45 kJ/mol; (15)Boiling Point: 406.8 °C at 760 mmHg; (16)Vapour Pressure: 2.38E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)C)N2CCC(O)C2
(2) InChI: InChI=1/C11H15NO3S/c1-9-2-4-11(5-3-9)16(14,15)12-7-6-10(13)8-12/h2-5,10,13H,6-8H2,1H3
(3) InChIKey: GOIRRXGVYYWCGC-UHFFFAOYAD