Benzenesulfonic acid,2-amino-5-ethoxy- (6448-82-4)

The 2-Amino-5-ethoxybenzenesulphonic acid with cas registry number of 6448-82-4, is also called 2-Amino-5-ethoxybenzenesulfonicacid ; 4-phenetidine-3-sulfonic acid ; 4-Aminoethoxybenzene-3-sulfonic acid ; Einecs 229-243-2 .

Physical properties of 2-Amino-5-ethoxybenzenesulphonic acid : (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.62; (4)ACD/LogD (pH 7.4): -2.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.22 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 51.71 cm³; (15)Molar Volume: 154.9 cm³; (16)Polarizability: 20.5×10^-24cm³; (17)Surface Tension: 57.5 dyne/cm.

You can still convert the following datas into molecular structure: (1)SMILES:O=S(=O)(O)c1c(ccc(OCC)c1)N; (2)InChI:InChI=1/C8H11NO4S/c1-2-13-6-3-4-7(9)8(5-6)14(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12); (3)InChIKey:KTFUNVBAGAPLLC-UHFFFAOYAJ; (4)Std. InChI:InChI=1S/C8H11NO4S/c1-2-13-6-3-4-7(9)8(5-6)14(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12); (5)Std. InChIKey:KTFUNVBAGAPLLC-UHFFFAOYSA-N .