Dane Salt

Base Information

• Chemical Name: Dane Salt
• CAS No.: 961-69-3
• Molecular Formula: C14H17KNO4
• Molecular Weight: 301.32
• Hs Code.: 2942.00
• DSSTox Substance ID: DTXSID80892162
• Mol file: 961-69-3.mol

Synonyms:Dane Salt;SCHEMBL6155599;DTXSID80892162;Benzeneacetic acid, .alpha.-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]-, monopotassium salt, (.alpha.R)-

Chemical Property of Dane Salt

Chemical Property:

• Appearance/Colour: white to off white crystalline powder
• Vapor Pressure: 3.9E-08mmHg at 25°C
• Melting Point: 230-234 °C(lit.)
• Boiling Point: 429.4 °C at 760 mmHg
• Flash Point: 213.5 °C
• PSA: 78.46000
• Density: 1.275[at 20℃]
• LogP: 0.92500
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 301.07163948
• Heavy Atom Count: 20
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

N-Methylbut-2-enoateEthylEsterD-(-)PhenylglycinePotassiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)[O-].[K+]
• Uses: N-Methylbut-2-enoate Ethyl Ester D-(-)Phenylglycine Potassium Salt is used in the synthesis of semisynthetic penicillins and cephalosporins.