2-((3-Amino-4-methoxyphenyl)sulphonyl)ethyl hydrogen sulphate

Base Information

• Chemical Name: 2-((3-Amino-4-methoxyphenyl)sulphonyl)ethyl hydrogen sulphate
• CAS No.: 10079-20-6
• Molecular Formula: C₉H₁₃NO₇S₂
• Molecular Weight: 311.337
• European Community (EC) Number: 233-213-4
• DSSTox Substance ID: DTXSID00864205
• Nikkaji Number: J241.259D
• Mol file: 10079-20-6.mol

Synonyms:10079-20-6;EINECS 233-213-4;2-((3-Amino-4-methoxyphenyl)sulphonyl)ethyl hydrogen sulphate;2-(3-amino-4-methoxyphenyl)sulfonylethyl hydrogen sulfate;2-[(3-amino-4-methoxyphenyl)sulphonyl]ethyl hydrogen sulphate;2-(3-AMINO-4-METHOXYPHENYLSULFONYL)ETHYL HYDROGEN SULFATE;Ethanol, 2-((3-amino-4-methoxyphenyl)sulfonyl)-, 1-(hydrogen sulfate);Ethanol, 2-((3-amino-4-methoxyphenyl)sulfonyl)-, hydrogen sulfate (ester);Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, hydrogen sulfate (ester);Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, hydrogen sulfate(ester);SCHEMBL1568905;DTXSID00864205;2-Anisidine-4-hydroxyethylsulfonesulfateester;2-(3-amino-4-methoxyphenylsulfonyl) ethyl sulfate;2-(3-Amino-4-methoxybenzene-1-sulfonyl)ethyl hydrogen sulfate;Sulfuric acid hydrogen 2-[(3-amino-4-methoxyphenyl)sulfonyl]ethyl ester

Chemical Property of 2-((3-Amino-4-methoxyphenyl)sulphonyl)ethyl hydrogen sulphate

Chemical Property:

• Appearance/Colour: offwhite powder
• Refractive Index: 1.587
• PKA: -3.87±0.18(Predicted)
• PSA: 149.75000
• Density: 1.565 g/cm³
• LogP: 2.61330
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 311.01334410
• Heavy Atom Count: 19
• Complexity: 476

Purity/Quality:

98%,99%, ^*data from raw suppliers

VINYL SULPHONE ESTER OF O-ANISIDINE BASE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N