3-(alpha-Methylphenethyl)-N-((p-nitrophenyl)carbamoyl)sidnone imine

Base Information

• Chemical Name: 3-(alpha-Methylphenethyl)-N-((p-nitrophenyl)carbamoyl)sidnone imine
• CAS No.: 117015-68-6
• Molecular Formula: C₁₈H₁₇N₅O₄
• Molecular Weight: 367.364
• Mol file: 117015-68-6.mol

Synonyms:BRN 5661836;N(sup 6)-(4-Nitrophenyl)carbamoyl-3-phenylisopropylsydnone imine;3-(alpha-Methylphenethyl)-N-((p-nitrophenyl)carbamoyl)sidnone imine;3-(1-Methyl-2-phenylethyl)-N-(((4-nitrophenyl)amino)carbonyl)sydnone imine;Sydnone imine, 3-(1-methyl-2-phenylethyl)-N-(((4-nitrophenyl)amino)carbonyl)-;117015-68-6;LS-148398

Chemical Property of 3-(alpha-Methylphenethyl)-N-((p-nitrophenyl)carbamoyl)sidnone imine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 367.12805404
• Heavy Atom Count: 27
• Complexity: 512

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(NC3=CC=C(C=C3)[N+](=O)[O-])[O-]
• Isomeric SMILES: CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=C(C=C3)[N+](=O)[O-])\[O-]

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