(2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]azepin-6(1H)-yl)(4-nitrophenyl)methanone

Base Information

• Chemical Name: (2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]azepin-6(1H)-yl)(4-nitrophenyl)methanone
• CAS No.: 168626-71-9
• Molecular Formula: C19H16N4O3
• Molecular Weight: 348.36
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50464219
• Wikidata: Q72465538
• Mol file: 168626-71-9.mol

Synonyms:168626-71-9;(2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]azepin-6(1H)-yl)(4-nitrophenyl)methanone;(2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]-azepin-6(1H)-yl)(4-nitrophenyl)methanone;(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)-(4-nitrophenyl)methanone;GKKPPENORPTEJV-UHFFFAOYSA-N;SCHEMBL6993115;DTXSID50464219;AKOS015901594;(4,5-Dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)(4-nitrophenyl)methanone;FT-0763734;D87955;(2-Methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(3H)-yl)(4-nitrophenyl)methanone;6-(4-nitrobenzoyl)-2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

Chemical Property of (2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]azepin-6(1H)-yl)(4-nitrophenyl)methanone

Chemical Property:

• Boiling Point: 694.2±55.0 °C(Predicted)
• PKA: 14.31±0.20(Predicted)
• PSA: 94.81000
• Density: 1.384
• LogP: 4.08440
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 348.12224039
• Heavy Atom Count: 26
• Complexity: 543

Purity/Quality:

99% ^*data from raw suppliers

(2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]-azepin-6(1H)-yl)(4-nitrophenyl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]