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CAS No.: | 104144-06-1 |
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Name: | Benzenesulfonamide, N,N-di-3-buten-1-yl-4-methyl- |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C15H21NO2S |
Molecular Weight: | 279.403 |
Synonyms: | Benzenesulfonamide,N,N-di-3-butenyl-4-methyl- (9CI);N,N-Bis(3-buten-1-yl)-p-toluenesulfonamide;N,N-Bis(3-butenyl)-4-methylbenzenesulfonamide; |
Density: | 1.073 g/cm3 |
Boiling Point: | 387.271 °C at 760 mmHg |
Flash Point: | 188.015 °C |
PSA: | 45.76000 |
LogP: | 4.21870 |
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The CAS registry number of Benzenesulfonamide,N,N-di-3-buten-1-yl-4-methyl- is 104144-06-1. This chemical is also named as N,N-Bis(3-butenyl)-4-methylbenzenesulfonamide. In addition, its molecular formula is C15H21NO2S and molecular weight is 279.3977. Its systematic name is called N,N-di(but-3-en-1-yl)-4-methylbenzenesulfonamide.
Physical properties about Benzenesulfonamide,N,N-di-3-buten-1-yl-4-methyl- are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1465; (6)ACD/BCF (pH 7.4): 1465; (7)ACD/KOC (pH 5.5): 6422; (8)ACD/KOC (pH 7.4): 6422; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 80.656 cm3; (14)Molar Volume: 260.474 cm3; (15)Surface Tension: 38.007 dyne/cm; (16)Density: 1.073 g/cm3; (17)Flash Point: 188.015 °C; (18)Enthalpy of Vaporization: 63.632 kJ/mol; (19)Boiling Point: 387.271 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)N(CC\C=C)CC\C=C
(2)InChI: InChI=1/C15H21NO2S/c1-4-6-12-16(13-7-5-2)19(17,18)15-10-8-14(3)9-11-15/h4-5,8-11H,1-2,6-7,12-13H2,3H3
(3)InChIKey: PYKYBMYSBJLKEU-UHFFFAOYAE