Probarbital

Base Information

• Chemical Name: Probarbital
• CAS No.: 76-76-6
• Molecular Formula: C9H14N2O3
• Molecular Weight: 198.222
• NSC Number: 120742
• UNII: R87TF75S6O
• DSSTox Substance ID: DTXSID30226897
• Nikkaji Number: J4.553E
• Wikipedia: Probarbital
• Wikidata: Q7246894
• ChEMBL ID: CHEMBL2110696
• Mol file: 76-76-6.mol

Synonyms:Axeen;Centralagol;Ipronal;proxibarbal;proxybarbital;Vasalgin

Chemical Property of Probarbital

Chemical Property:

• Melting Point: 203°C
• Refractive Index: 1.4922 (estimate)
• Boiling Point: 335.53°C (rough estimate)
• PKA: 7.93±0.10(Predicted)
• PSA: 75.27000
• Density: 1.125g/cm³
• LogP: 1.06240
• Water Solubility.: 1.21g/L(25 oC)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.10044231
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C(C)C

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