CAS No.26103-51-5,3-(Pyrrolidin-1-ylsulphonyl)pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26103-51-5
Name:	3-(Pyrrolidin-1-ylsulphonyl)pyridine
Article Data:	7

Formula:	C₉H₁₂N₂O₂S
Molecular Weight:	212.26878
Synonyms:	Pyrrolidine, 1-(3-pyridinylsulfonyl)- (9CI);Pyrrolidine, 1-(3-pyridylsulfonyl)- (8CI);
Density:	1.325 g/cm³
Boiling Point:	368.367 °C at 760 mmHg
Flash Point:	176.582 °C
Hazard Symbols:	Xi
PSA:	58.65000
LogP:	1.88480

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Specification

The Pyridine,3-(1-pyrrolidinylsulfonyl)-, with the CAS registry number 26103-51-5, is also known as 3-(Pyrrolidin-1-ylsulphonyl)pyridine. It belongs to the product categories of Blocks; Pyridines; Sulfonamides. This chemical's molecular formula is C₉H₁₂N₂O₂S and molecular weight is 212.26878. What's more, its systematic name is 3-(Pyrrolidin-1-ylsulfonyl)pyridine.

Physical properties about Pyridine,3-(1-pyrrolidinylsulfonyl) are: (1)ACD/LogP: 1.01; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35; (8) ACD/KOC (pH 7.4): 35; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12) Polar Surface Area: 58.65 Å²; (13)Index of Refraction: 1.585; (14) Molar Refractivity: 53.73 cm³; (15)Molar Volume: 160.264 cm³; (16)Polarizability: 21.3×10^-24cm³; (17)Surface Tension: 54.752 dyne/cm; (18)Density: 1.325 g/cm³; (19)Flash Point: 176.582 °C; (20)Enthalpy of Vaporization: 61.501 kJ/mol; (21)Boiling Point: 368.367 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1cccnc1)N2CCCC2
(2) InChI: InChI=1/C9H12N2O2S/c12-14(13,11-6-1-2-7-11)9-4-3-5-10-8-9/h3-5,8H,1-2,6-7H2
(3) InChIKey: MXJUPPYEPZUGLP-UHFFFAOYAP