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CAS No.: | 54179-10-1 |
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Name: | 4-amino-2,5-dimethoxybenzenesulphonamide |
Molecular Structure: | |
Formula: | C8H12N2O4S |
Molecular Weight: | 232.26 |
Synonyms: | Sulfanilamide,2,5-dimethoxy- (6CI);NSC 89723; |
EINECS: | 259-016-3 |
Density: | 1.377 g/cm3 |
Boiling Point: | 478.3 °C at 760 mmHg |
Flash Point: | 243.1 °C |
PSA: | 113.02000 |
LogP: | 2.29570 |
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The CAS registry number of Benzenesulfonamide,4-amino-2,5-dimethoxy- is 54179-10-1. This chemical is also named as Sulfanilamide,2,5-dimethoxy- (6CI). The EINECS registry number of it is 259-016-3. In addition, its molecular formula is C8H12N2O4S and molecular weight is 232.25688. Its systematic name and IUPAC name are the same which is called 4-amino-2,5-dimethoxybenzenesulfonamide.
Physical properties about Benzenesulfonamide,4-amino-2,5-dimethoxy- are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.55; (8)ACD/KOC (pH 7.4): 15.53; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 55.53 cm3; (14)Molar Volume: 168.6 cm3; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.377 g/cm3; (17)Flash Point: 243.1 °C; (18)Enthalpy of Vaporization: 74.23 kJ/mol; (19)Boiling Point: 478.3 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(OC)c(N)cc1OC)N
(2)InChI: InChI=1/C8H12N2O4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,9H2,1-2H3,(H2,10,11,12)
(3)InChIKey: XUEVFQRBADJXLR-UHFFFAOYAB