[4-(Dimethylamino)-2-methoxy-5-nitrophenyl]-(3,5-dimethylpiperazin-1-yl)methanone

Base Information

• Chemical Name: [4-(Dimethylamino)-2-methoxy-5-nitrophenyl]-(3,5-dimethylpiperazin-1-yl)methanone
• CAS No.: 5139-45-7
• Molecular Formula: C16H24N4O4
• Molecular Weight: 336.3862
• DSSTox Substance ID: DTXSID70385250

Synonyms:5139-45-7;ST50983735;CBMicro_008978;Oprea1_084335;DTXSID70385250;SMSF0003693;AKOS000439772;AKOS024356104;CB11698;BIM-0009088.P001;SR-01000513217;SR-01000513217-1

Chemical Property of [4-(Dimethylamino)-2-methoxy-5-nitrophenyl]-(3,5-dimethylpiperazin-1-yl)methanone

Chemical Property:

• Vapor Pressure: 4.36E-11mmHg at 25°C
• Boiling Point: 524.3°C at 760 mmHg
• Flash Point: 270.9°C
• Density: 1.182g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 336.17975526
• Heavy Atom Count: 24
• Complexity: 458

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CC(N1)C)C(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-]

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