4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 1-methyl-4-piperidyl ester

Base Information

• Chemical Name: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 1-methyl-4-piperidyl ester
• CAS No.: 21787-36-0
• Molecular Formula: C15H17N3O6
• Molecular Weight: 335.31
• DSSTox Substance ID: DTXSID20176195
• Nikkaji Number: J94.661C
• Wikidata: Q83046522
• Mol file: 21787-36-0.mol

Synonyms:21787-36-0;4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 1-methyl-4-piperidyl ester;5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 1-methyl-4-piperidyl ester;DTXSID20176195;LS-86642;(1-Methylpiperidin-4-yl)5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate

Chemical Property of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 1-methyl-4-piperidyl ester

Chemical Property:

• Vapor Pressure: 1.37E-09mmHg at 25°C
• Boiling Point: 485.8°C at 760 mmHg
• Flash Point: 247.6°C
• PSA: 114.53000
• Density: 1.39g/cm³
• LogP: 2.86330
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 335.11173527
• Heavy Atom Count: 24
• Complexity: 476

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC3CCN(CC3)C

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