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5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide

Base Information
  • Chemical Name:5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
  • CAS No.:102821-00-1
  • Molecular Formula:C19H17 Cl2 N5 O2
  • Molecular Weight:418.28
  • Hs Code.:
  • DSSTox Substance ID:DTXSID40145525
  • Nikkaji Number:J548.244E
  • Wikidata:Q83010091
  • Mol file:102821-00-1.mol
5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide

Synonyms:191-DG;191DG;DG 191;DG-191

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Chemical Property of 5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
Chemical Property:
  • Vapor Pressure:1.99E-16mmHg at 25°C 
  • Boiling Point:643°C at 760 mmHg 
  • PKA:6.73±0.29(Predicted) 
  • Flash Point:342.7°C 
  • PSA:94.11000 
  • Density:1.43g/cm3 
  • LogP:3.66590 
  • XLogP3:2.9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:5
  • Exact Mass:417.0759302
  • Heavy Atom Count:28
  • Complexity:579
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN(C)C(=O)C1=NN(C(=N1)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
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