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Name |
2-Naphthalenesulfonicacid, 6-(phenylamino)- |
EINECS | N/A |
CAS No. | 20096-53-1 | Density | 1.409 g/cm3 |
PSA | 74.78000 | LogP | 4.98390 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H13NO3S | Boiling Point | N/A |
Molecular Weight | 299.35 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Anilinonaphthalene-2-sulfonic acid; |
Article Data | 2 |
The 2-Naphthalenesulfonicacid, 6-(phenylamino)-, with the CAS registry number of 20096-53-1, is also known as 6-Anilinonaphthalene-2-sulfonic acid. Its molecular formula is C16H13NO3S and molecular weight is 299.34. What's more, its systematic name is 6-(Phenylamino)naphthalene-2-sulfonic acid.
Physical properties about the 2-Naphthalenesulfonicacid, 6-(phenylamino)- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): -1.05; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 83.01 cm3; (15)Molar Volume: 212.3 cm3; (16)Surface Tension: 66 dyne/cm; (17)Density: 1.409 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c2ccc1cc(ccc1c2)Nc3ccccc3
(2) InChI: InChI=1/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-11,17H,(H,18,19,20)
(3) InChIKey: DTFZXNJFEIZTJR-UHFFFAOYAP