Cas no 105957-86-6 (Benzenamine, 4-[1-methyl-1-[4-(1-methylethyl)phenyl]ethyl]-2-nitro-)

Benzenamine, 4-[1-methyl-1-[4-(1-methylethyl)phenyl]ethyl]-2-nitro- structure
105957-86-6 structure
Product Name:Benzenamine, 4-[1-methyl-1-[4-(1-methylethyl)phenyl]ethyl]-2-nitro-
CAS No:105957-86-6
MF:C18H22N2O2
MW:298.379484653473
CID:1165539
Update Time:2024-07-26

Benzenamine, 4-[1-methyl-1-[4-(1-methylethyl)phenyl]ethyl]-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 4-[1-methyl-1-[4-(1-methylethyl)phenyl]ethyl]-2-nitro-
    • Inchi: 1S/C18H22N2O2/c1-12(2)13-5-7-14(8-6-13)18(3,4)15-9-10-16(19)17(11-15)20(21)22/h5-12H,19H2,1-4H3
    • InChI Key: NQNPXTYNPDHLCP-UHFFFAOYSA-N
    • SMILES: C1(N)=CC=C(C(C)(C2=CC=C(C(C)C)C=C2)C)C=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 298.16826

Experimental Properties

  • Density: 1.117±0.06 g/cm3(Predicted)
  • Boiling Point: 429.2±33.0 °C(Predicted)
  • PSA: 69.16
  • pka: 0.27±0.25(Predicted)
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