Probarbital calcium

Base Information

• Chemical Name: Probarbital calcium
• CAS No.: 545-74-4
• Molecular Formula: C18H26CaN4O6
• Molecular Weight: 434.50024
• UNII: S5L624QX2J
• DSSTox Substance ID: DTXSID10276234
• Wikidata: Q27288681
• Mol file: 545-74-4.mol

Synonyms:Probarbital calcium;Ipral calcium;Calcium probarbital;S5L624QX2J;545-74-4;Calcium ethylisopropylbarbiturate;5-Ethyl-5-isopropylbarbituric acid calcium salt;UNII-S5L624QX2J;Barbituric acid, 5-ethyl-5-isopropyl-, calcium salt;DTXSID10276234;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethyl)-, calcium salt (2:1);Q27288681;calcium;5-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-4-olate;CALCIUM BIS(5-ETHYL-4,6-DIOXO-5-(PROPAN-2-YL)-1,4,5,6-TETRAHYDROPYRIMIDIN-2-OLATE)

Chemical Property of Probarbital calcium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 170.16000
• Density: g/cm³
• LogP: 1.65820
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 434.1478254
• Heavy Atom Count: 29
• Complexity: 309

Purity/Quality:

PROBARBITAL CALCIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)N=C1[O-])C(C)C.CCC1(C(=O)NC(=O)N=C1[O-])C(C)C.[Ca+2]

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