(2E)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-6-(2-pyrrolidin-1-ylethoxy)-3,4-dihydronaphthalen-1-one;sulfuric acid

Base Information

• Chemical Name: (2E)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-6-(2-pyrrolidin-1-ylethoxy)-3,4-dihydronaphthalen-1-one;sulfuric acid
• CAS No.: 55118-21-3
• Molecular Formula: C21H26N4O8S
• Molecular Weight: 494.5181
• NSC Number: 277182
• DSSTox Substance ID: DTXSID00424803
• Mol file: 55118-21-3.mol

Synonyms:NSC277182;55118-21-3;DTXSID00424803;NSC-277182

Chemical Property of (2E)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-6-(2-pyrrolidin-1-ylethoxy)-3,4-dihydronaphthalen-1-one;sulfuric acid

Chemical Property:

• Vapor Pressure: 3.14E-16mmHg at 25°C
• Boiling Point: 639.1°Cat760mmHg
• Flash Point: 340.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 494.14713497
• Heavy Atom Count: 34
• Complexity: 724

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CN=C1C=C2CCC3=C(C2=O)C=CC(=C3)OCCN4CCCC4)[N+](=O)[O-].OS(=O)(=O)O
• Isomeric SMILES: CN1C(=CN=C1/C=C/2\CCC3=C(C2=O)C=CC(=C3)OCCN4CCCC4)[N+](=O)[O-].OS(=O)(=O)O