2-Amino-6-(2-(sulfooxy)ethylsulfonyl)naphthalene-1-sulfonic acid

Base Information

• Chemical Name: 2-Amino-6-(2-(sulfooxy)ethylsulfonyl)naphthalene-1-sulfonic acid
• CAS No.: 81417-89-2
• Molecular Formula: C12H13NO9S3
• Molecular Weight: 411.435
• European Community (EC) Number: 617-233-4
• DSSTox Substance ID: DTXSID90548360
• Mol file: 81417-89-2.mol

Synonyms:81417-89-2;2-AMINO-6-(2-(SULFOOXY)ETHYLSULFONYL)NAPHTHALENE-1-SULFONIC ACID;2-amino-6-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid;1-Naphthalenesulfonicacid, 2-amino-6-[[2-(sulfooxy)ethyl]sulfonyl]-;SCHEMBL5702855;DTXSID90548360;FSRFGSIFTOWRLP-UHFFFAOYSA-N;A840128;2-Amino-6-[2-(sulfooxy)ethanesulfonyl]naphthalene-1-sulfonic acid

Chemical Property of 2-Amino-6-(2-(sulfooxy)ethylsulfonyl)naphthalene-1-sulfonic acid

Chemical Property:

• Refractive Index: 1.688
• PKA: -3.92±0.18(Predicted)
• PSA: 203.27000
• Density: 1.775 g/cm³
• LogP: 4.08540
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 410.97524451
• Heavy Atom Count: 25
• Complexity: 773

Purity/Quality:

99% ^*data from raw suppliers

2-AMINO-6-(2-(SULFOOXY)ETHYLSULFONYL)NAPHTHALENE-1-SULFONIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C=C1S(=O)(=O)CCOS(=O)(=O)O