2-[1-(1,1-Dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperidin-2-yl]ethyl 3-methyl-4-nitrobenzoate

Base Information

• Chemical Name: 2-[1-(1,1-Dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperidin-2-yl]ethyl 3-methyl-4-nitrobenzoate
• CAS No.: 6816-78-0
• Molecular Formula: C22H23N3O6S
• Molecular Weight: 457.4995
• DSSTox Substance ID: DTXSID00412725

Synonyms:6816-78-0;ChemDiv1_014652;HMS628J22;DTXSID00412725;AKOS022127409;2-[1-(1,1-Dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperidin-2-yl]ethyl 3-methyl-4-nitrobenzoate;2-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-piperidyl]ethyl 3-methyl-4-nitrobenzoate

Chemical Property of 2-[1-(1,1-Dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperidin-2-yl]ethyl 3-methyl-4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 3.95E-17mmHg at 25°C
• Boiling Point: 656.9°Cat760mmHg
• Flash Point: 351.1°C
• Density: 1.44g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 457.13075664
• Heavy Atom Count: 32
• Complexity: 849

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)OCCC2CCCCN2C3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]

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