Cas no 29124-72-9 (Acetamide,N-[4-(dimethylamino)-2-nitrophenyl]-)

Acetamide,N-[4-(dimethylamino)-2-nitrophenyl]- structure
29124-72-9 structure
Product Name:Acetamide,N-[4-(dimethylamino)-2-nitrophenyl]-
CAS No:29124-72-9
MF:C10H13N3O3
MW:223.228522062302
CID:240259
Update Time:2024-01-26

Acetamide,N-[4-(dimethylamino)-2-nitrophenyl]- Chemical and Physical Properties

Names and Identifiers

    • Acetamide,N-[4-(dimethylamino)-2-nitrophenyl]-
    • 3-NITRO-4-AMINODIMETHYLAMINOACETANILIDE
    • N-[4-(Dimethylamino)-2-nitrophenyl]acetamide
    • Acetamide, N-[4-(dimethylamino)-2-nitrophenyl]-
    • Inchi: 1S/C10H13N3O3/c1-7(14)11-9-5-4-8(12(2)3)6-10(9)13(15)16/h4-6H,1-3H3,(H,11,14)
    • InChI Key: ZCJRJKWPQUPUGP-UHFFFAOYSA-N
    • SMILES: C(NC1=CC=C(N(C)C)C=C1[N+]([O-])=O)(=O)C

Computed Properties

  • Exact Mass: 223.09579
  • Monoisotopic Mass: 223.096
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 275
  • 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: 1.3
  • Topological Polar Surface Area: 78.2A^2

Experimental Properties

  • Density: 1.295
  • Boiling Point: 442.5°C at 760 mmHg
  • Flash Point: 221.4°C
  • Refractive Index: 1.63
  • PSA: 75.48
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