Cas no 73953-80-7 (n'-(2,4-dinitrophenyl)-n,n-dimethylurea)

n'-(2,4-dinitrophenyl)-n,n-dimethylurea structure
73953-80-7 structure
Product Name:n'-(2,4-dinitrophenyl)-n,n-dimethylurea
CAS No:73953-80-7
MF:C9H10N4O5
MW:254.199501514435
CID:862427
PubChem ID:99179
Update Time:2025-04-19

n'-(2,4-dinitrophenyl)-n,n-dimethylurea Chemical and Physical Properties

Names and Identifiers

    • n'-(2,4-dinitrophenyl)-n,n-dimethylurea
    • 1,1-Dimethyl-3-(2,4-dinitrophenyl)urea
    • 3-(2,4-dinitrophenyl)-1,1-dimethylurea
    • AC1L40PQ
    • AC1Q5MRR
    • BRN 3403874
    • N'-(2,4-Dinitro-phenyl)-N,N-dimethyl-harnstoff
    • N'-(2,4-dinitro-phenyl)-N,N-dimethyl-urea
    • N-(2,4-Dinitrophenyl)-N',N'-dimethylurea
    • NSC191884
    • Urea, 1,1-dimethyl-3-(2,4-dinitrophenyl)-
    • DTXSID80224681
    • Urea,4-dinitrophenyl)-N,N-dimethyl-
    • 73953-80-7
    • Urea, N'-(2,4-dinitrophenyl)-N,N-dimethyl-
    • NSC-191884
    • N-(2,N'-dimethylurea
    • 3-12-00-01690 (Beilstein Handbook Reference)
    • NSC 191884
    • Urea,1-dimethyl-3-(2,4-dinitrophenyl)-
    • PLK5X7ZJK5
    • Inchi: 1S/C9H10N4O5/c1-11(2)9(14)10-7-4-3-6(12(15)16)5-8(7)13(17)18/h3-5H,1-2H3,(H,10,14)
    • InChI Key: YNGYYVJAOOEVDA-UHFFFAOYSA-N
    • SMILES: O=C(N(C)C)NC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 254.0652
  • Monoisotopic Mass: 254.06511943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 348
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 124?2

Experimental Properties

  • PSA: 118.62
  • LogP: 2.71590
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