methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenylprop-2-enoate;2,4,6-trinitrophenol

Base Information

• Chemical Name: methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenylprop-2-enoate;2,4,6-trinitrophenol
• CAS No.: 53059-66-8
• Molecular Formula: C23H26N4O9
• Molecular Weight: 502.4739
• NSC Number: 231697
• Mol file: 53059-66-8.mol

Synonyms:NSC231697;NSC-231697;53059-66-8

Chemical Property of methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenylprop-2-enoate;2,4,6-trinitrophenol

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Boiling Point: 400°Cat760mmHg
• Flash Point: 137.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 502.16997842
• Heavy Atom Count: 36
• Complexity: 637

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCN1CC(=CC2=CC=CC=C2)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: CC1CCCCN1C/C(=C/C2=CC=CC=C2)/C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]