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CAS No.: | 62009-37-4 |
---|---|
Name: | 5-Bromo-N,N-diethylpyridine-3-sulphonamide |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H13BrN2O2S |
Molecular Weight: | 293.18 |
Synonyms: | 5-Bromo-N,N-diethyl-3-pyridinesulfonamide; |
Density: | 1.485 g/cm3 |
Boiling Point: | 376.5 °C at 760 mmHg |
Flash Point: | 181.5 °C |
Hazard Symbols: | Xi |
PSA: | 58.65000 |
LogP: | 2.95540 |
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This chemical is called 3-Pyridinesulfonamide, 5-bromo-N,N-diethyl-, and its CAS registry number is 62009-37-4. With the molecular formula of C9H13BrN2O2S, its molecular weight is 293.18. Additionally, its product categories are Blocks; Bromides; Pyridines; Sulfonamides.
Other characteristics of the 3-Pyridinesulfonamide, 5-bromo-N,N-diethyl- can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 68.08; (6)ACD/BCF (pH 7.4): 68.08; (7)ACD/KOC (pH 5.5): 713.97; (8)ACD/KOC (pH 7.4): 713.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.65 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 63.49 cm3; (15)Molar Volume: 197.3 cm3; (16)Polarizability: 25.16×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.485 g/cm3; (19)Flash Point: 181.5 °C; (20)Enthalpy of Vaporization: 62.41 kJ/mol; (21)Boiling Point: 376.5 °C at 760 mmHg; (22)Vapour Pressure: 7.22E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1cncc(Br)c1)N(CC)CC
2.InChI: InChI=1/C9H13BrN2O2S/c1-3-12(4-2)15(13,14)9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3
3.InChIKey: DMCLRSISAMTJLN-UHFFFAOYAK