4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride

Base Information

• Chemical Name: 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride
• CAS No.: 66439-98-3
• Molecular Formula: C13H17ClN2O4
• Molecular Weight: 300.7381
• DSSTox Substance ID: DTXSID80216662

Synonyms:4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride;66439-98-3;DTXSID80216662;LS-117321

Chemical Property of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride

Chemical Property:

• Vapor Pressure: 1.64E-08mmHg at 25°C
• Boiling Point: 439.8°Cat760mmHg
• Flash Point: 219.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 300.0876847
• Heavy Atom Count: 20
• Complexity: 373

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CN(C(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)O.Cl
• Isomeric SMILES: C[C@]1(CN([C@@H](CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)O.Cl

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