5-Ethyl-5-(1-methylbutenyl)barbituric acid

Base Information

• Chemical Name: 5-Ethyl-5-(1-methylbutenyl)barbituric acid
• CAS No.: 125-42-8
• Molecular Formula: C11H16 N2 O3
• Molecular Weight: 224.29
• Hs Code.: 2933540000
• DSSTox Substance ID: DTXSID1023738
• Mol file: 125-42-8.mol

Synonyms:DTXSID1023738;5-ethyl-5-(1-methylbutenyl)barbituric acid

Chemical Property of 5-Ethyl-5-(1-methylbutenyl)barbituric acid

Chemical Property:

• Melting Point: 162.5°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 7.72±0.10(Predicted)
• Flash Point: °C
• PSA: 75.27000
• Density: 1.115g/cm³
• LogP: 1.76270
• Water Solubility.: 0.7g/L(25 oC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 351

Purity/Quality:

99%, ^*data from raw suppliers

VINBARBITAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=C(C)C1(C(=O)NC(=O)NC1=O)CC