The 2-Naphthalenesulfonicacid, 1-amino-, with the CAS registry number of 81-06-1, is also known as 1-Amino-2-naphthalenesulfonic Acid. Its EINECS registry number is 201-320-5. Its molecular formula is C10H9NO3S and molecular weight is 223.25. What's more, its IUPAC name is 1-Aminonaphthalene-2-sulfonic acid.
Physical properties about the 2-Naphthalenesulfonicacid, 1-amino- are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.17; (4)ACD/LogD (pH 7.4): -2.18; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 58.27 cm3; (15)Molar Volume: 148.6 cm3; (16)Surface Tension: 72.1 dyne/cm; (17)Density: 1.502 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c2ccc1ccccc1c2N
(2) InChI: InChI=1/C10H9NO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,11H2,(H,12,13,14)
(3) InChIKey: ONZWNZGVZFLMNZ-UHFFFAOYAP
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