Isoxazole, 5-phenyl-3-(2-piperidinoethyl)-, citrate

Base Information

• Chemical Name: Isoxazole, 5-phenyl-3-(2-piperidinoethyl)-, citrate
• CAS No.: 985-84-2
• Molecular Formula: C22H28N2O8
• Molecular Weight: 448.4663
• DSSTox Substance ID: DTXSID60243592

Synonyms:3-(2-Piperidinoethyl)-5-phenylisoxazole citrate;ISOXAZOLE, 5-PHENYL-3-(2-PIPERIDINOETHYL)-, CITRATE;985-84-2;DTXSID60243592;LS-86697;Piperidine, 1-[2-(5-phenyl-3-isoxazolyl)ethyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Chemical Property of Isoxazole, 5-phenyl-3-(2-piperidinoethyl)-, citrate

Chemical Property:

• Vapor Pressure: 1.47E-06mmHg at 25°C
• Boiling Point: 398.5°C at 760 mmHg
• Flash Point: 194.8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 448.18456586
• Heavy Atom Count: 32
• Complexity: 481

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC[NH+](CC1)CCC2=NOC(=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

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