1-Propanesulfonic acid, 3-[ethyl(3-hydroxy-4-nitrosophenyl)amino]-

Base Information

• Chemical Name: 1-Propanesulfonic acid, 3-[ethyl(3-hydroxy-4-nitrosophenyl)amino]-
• CAS No.: 80459-17-2
• Molecular Formula: C11H16N2O5S
• Molecular Weight: 288.32000
• DSSTox Substance ID: DTXSID00407696
• Nikkaji Number: J227.934G
• Wikidata: Q82213022
• Mol file: 80459-17-2.mol

Synonyms:80459-17-2;1-Propanesulfonic acid, 3-[ethyl(3-hydroxy-4-nitrosophenyl)amino]-;3-(N-ethyl-3-hydroxy-4-nitrosoanilino)propane-1-sulfonic acid;SCHEMBL2904153;DTXSID00407696;AG-H-23481;5-(N-Ethyl-N-sulfopropylamino)-2-nitrosophenol;2-nitroso-5-(N- ethyl-N-sulfopropyl-amino)phenol;3-(N-ETHYL-3-HYDROXY-4-NITROSOANILINO)PROPANSULFONIC ACID

Chemical Property of 1-Propanesulfonic acid, 3-[ethyl(3-hydroxy-4-nitrosophenyl)amino]-

Chemical Property:

• PSA: 115.65000
• LogP: 2.97510
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 288.07799279
• Heavy Atom Count: 19
• Complexity: 381

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-(N-Ethyl-N-sulfopropylamino)-2-nitrosophenol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=O)O
• Uses: 5-(N-Ethyl-N-sulfopropylamino)-2-nitrosophenol is an intermediate used in the synthesis of 3-[N-(2-Carboxyethyl)methylamino]-7-[N-ethyl(3-sulfonatopropyl)amino]phenoxazin-5-ium Sodium (C178833), which is a fluorescent dye for covalent labeling.