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CAS No.: | 7146-67-0 |
---|---|
Name: | N,N-BIS(2-HYDROXYETHYL)-P-TOLUENESULFONAMIDE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C11H17NO4S |
Molecular Weight: | 259.326 |
Synonyms: | p-Toluenesulfonamide,N,N-bis(2-hydroxyethyl)- (6CI,7CI,8CI);(p-Tolylsulfonyl)diethanolamine;N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide;N,N-Bis(2-hydroxyethyl)-p-toluenesulfonamide;NSC 23811;NSC 46865; |
EINECS: | 230-455-2 |
Density: | 1.301g/cm3 |
Melting Point: | 94-100 °C |
Boiling Point: | 452.4 °C at 760 mmHg |
Flash Point: | 227.4 °C |
Appearance: | white to off-white crystalline powder or chunks |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 86.22000 |
LogP: | 1.05110 |
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The Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl-, with CAS registry number 7146-67-0, has the systematic name of N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide. This chemical is a kind of white to off-white crystalline powder or chunks. This chemical is harmful if swallowed. And the chemical formula of this chemical is C11H17NO4S. What's more, its EINECS is 230-455-2.
Physical properties of Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl-: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.49; (6)ACD/BCF (pH 7.4): 3.49; (7)ACD/KOC (pH 5.5): 85.21; (8)ACD/KOC (pH 7.4): 85.21; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 65.66 cm3; (15)Molar Volume: 199.2 cm3; (16)Polarizability: 26.03×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.301 g/cm3; (19)Flash Point: 227.4 °C; (20)Enthalpy of Vaporization: 74.98 kJ/mol; (21)Boiling Point: 452.4 °C at 760 mmHg; (22)Vapour Pressure: 5.69E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2'-azanediyl-bis-ethanol and toluene-4-sulfonyl chloride. This reaction will need reagent aqueous sodium carbonate.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)N(CCO)CCO
(2)InChI: InChI=1/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(3)InChIKey: NHFJDXPINIIUQG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(5)Std. InChIKey: NHFJDXPINIIUQG-UHFFFAOYSA-N