2-Naphthalenesulfonicacid, 6-(phenylamino)- supplier

Name
2,6-ANS
EINECS
CAS No. 20096-53-1
Article Data2
CAS DataBase
Density 1.409 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₃NO₃S
Boiling Point
Molecular Weight 299.35
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Anilinonaphthalene-2-sulfonic acid;
PSA 74.78000
LogP 4.98390

2-Naphthalenesulfonicacid, 6-(phenylamino)- Specification

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

Product Name

2,6-ANS

2-Naphthalenesulfonicacid, 6-(phenylamino)- Specification

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