Ammonium 5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate

Base Information

• Chemical Name: Ammonium 5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate
• CAS No.: 72705-22-7
• Molecular Formula: C12H18N2O6S
• Molecular Weight: 318.34
• Hs Code.: 2924299090
• European Community (EC) Number: 276-769-3
• DSSTox Substance ID: DTXSID8072584
• Mol file: 72705-22-7.mol

Synonyms:72705-22-7;Ammonium 5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate;EINECS 276-769-3;azanium;5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate;EC 276-769-3;Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monoammonium salt;Ammonium 4-acetoacetylamino-5-methoxy-2-methylbenzenesulphonate;Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, ammonium salt (1:1);Benzenesulfonic acid, 4-((1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, monoammonium salt;C12H15NO6S.H3N;DTXSID8072584;SCHEMBL10606720;AKOS015898666;C12-H15-N-O6-S.H3-N;FT-0614858;W-104481;Ammonium5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate

Chemical Property of Ammonium 5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate

Chemical Property:

• Vapor Pressure: 1.38E-14mmHg at 25°C
• Boiling Point: 586.3 °C at 760 mmHg
• Flash Point: 308.4 °C
• PSA: 120.98000
• Density: 0.55g/cm3 at 20℃
• LogP: 2.35530
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 318.08855747
• Heavy Atom Count: 21
• Complexity: 456

Purity/Quality:

99% ^*data from raw suppliers

3-Acetoacetylamino-4-methoxytoluene-6-sulfonic acid ammonium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)CC(=O)C.[NH4+]