CID 65902

Base Information

• Chemical Name: CID 65902
• CAS No.: 107736-98-1
• Molecular Formula: C28H40 N4 O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30869480
• Nikkaji Number: J385.170B
• Wikipedia: Umespirone
• Wikidata: Q7881509
• NCI Thesaurus Code: C152798
• Mol file: 107736-98-1.mol

Synonyms:KC 9172;KC-9172;umespirone

Chemical Property of CID 65902

Chemical Property:

• Vapor Pressure: 1.92E-19mmHg at 25°C
• Boiling Point: 700°C at 760 mmHg
• Flash Point: 377.2°C
• PSA: 90.47000
• Density: 1.161g/cm³
• LogP: 2.27240
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 512.29987039
• Heavy Atom Count: 37
• Complexity: 831

Purity/Quality:

95% ^*data from raw suppliers

UMESPIRONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=O)C2C(=O)N(C(=O)C(C1=O)C2(C)C)CCCCN3CCN(CC3)C4=CC=CC=C4OC

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