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Name |
Pyridine,3-(1-pyrrolidinylsulfonyl)- |
EINECS | N/A |
CAS No. | 26103-51-5 | Density | 1.325 g/cm3 |
PSA | 58.65000 | LogP | 1.88480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12N2O2S | Boiling Point | 368.367 °C at 760 mmHg |
Molecular Weight | 212.26878 | Flash Point | 176.582 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Pyrrolidine, 1-(3-pyridinylsulfonyl)- (9CI);Pyrrolidine, 1-(3-pyridylsulfonyl)- (8CI); |
Article Data | 7 |
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