Diethyl 2-acetamido-2-[[2-(bromomethyl)-5-nitro-phenyl]methyl]propanedioate

Base Information

• Chemical Name: Diethyl 2-acetamido-2-[[2-(bromomethyl)-5-nitro-phenyl]methyl]propanedioate
• CAS No.: 74980-11-3
• Molecular Formula: C₁₇H₂₁BrN₂O₇
• Molecular Weight: 445.267
• DSSTox Substance ID: DTXSID40697872
• Wikidata: Q82627899
• Mol file: 74980-11-3.mol

Synonyms:74980-11-3;Propanedioic acid,2-(acetylamino)-2-[[2-(bromomethyl)-5-nitrophenyl]methyl]-, 1,3-diethyl ester;diethyl 2-acetamido-2-[[2-(bromomethyl)-5-nitro-phenyl]methyl]propanedioate;DTXSID40697872;2-acetamido-2-[[2-(bromomethyl)-5-nitrophenyl]methyl]propanedioic acid diethyl ester;A838291;Diethyl acetamido{[2-(bromomethyl)-5-nitrophenyl]methyl}propanedioate

Chemical Property of Diethyl 2-acetamido-2-[[2-(bromomethyl)-5-nitro-phenyl]methyl]propanedioate

Chemical Property:

• Boiling Point: 584.4±50.0 °C(Predicted)
• PKA: 11.76±0.46(Predicted)
• PSA: 131.01000
• Density: 1.442±0.06 g/cm3(Predicted)
• LogP: 3.39680
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 444.05321
• Heavy Atom Count: 27
• Complexity: 546

Purity/Quality:

97% ^*data from raw suppliers

DIETHYL-2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])CBr)(C(=O)OCC)NC(=O)C