methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate;2,4,6-trinitrophenol

Base Information

• Chemical Name: methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate;2,4,6-trinitrophenol
• CAS No.: 53059-60-2
• Molecular Formula: C22H24N4O9
• Molecular Weight: 488.4474
• NSC Number: 231698
• DSSTox Substance ID: DTXSID00420345

Synonyms:NSC231698;53059-60-2;DTXSID00420345;NSC-231698

Chemical Property of methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate;2,4,6-trinitrophenol

Chemical Property:

• Vapor Pressure: 2.14E-06mmHg at 25°C
• Boiling Point: 393.4°Cat760mmHg
• Flash Point: 140.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 488.15432836
• Heavy Atom Count: 35
• Complexity: 604

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=CC1=CC=CC=C1)CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: COC(=O)/C(=C\C1=CC=CC=C1)/CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

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