methyl (Z)-2-[[cyclohexyl(methyl)amino]methyl]-3-phenylprop-2-enoate;2,4,6-trinitrophenol

Base Information

• Chemical Name: methyl (Z)-2-[[cyclohexyl(methyl)amino]methyl]-3-phenylprop-2-enoate;2,4,6-trinitrophenol
• CAS No.: 53059-64-6
• Molecular Formula: C24H28N4O9
• Molecular Weight: 516.5005
• NSC Number: 231701
• DSSTox Substance ID: DTXSID60420346

Synonyms:NSC231701;53059-64-6;DTXSID60420346;NSC-231701

Chemical Property of methyl (Z)-2-[[cyclohexyl(methyl)amino]methyl]-3-phenylprop-2-enoate;2,4,6-trinitrophenol

Chemical Property:

• Vapor Pressure: 3.47E-07mmHg at 25°C
• Boiling Point: 417.7°Cat760mmHg
• Flash Point: 139.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 516.18562848
• Heavy Atom Count: 37
• Complexity: 644

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC(=CC1=CC=CC=C1)C(=O)OC)C2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: CN(C/C(=C/C1=CC=CC=C1)/C(=O)OC)C2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

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