Cas no 726-17-0 (4-(4-Nitrobenzyl)aniline)

4-(4-Nitrobenzyl)aniline structure
4-(4-Nitrobenzyl)aniline structure
Product Name:4-(4-Nitrobenzyl)aniline
CAS No:726-17-0
MF:C13H12N2O2
MW:228.246582984924
CID:862569
PubChem ID:136560
Update Time:2025-04-19

4-(4-Nitrobenzyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Nitrobenzyl)aniline
    • 4-[(4-nitrophenyl)methyl]aniline
    • p-Nitro-p-aminodiphenylmethane
    • 4-(4-Nitro-benzyl)-phenylamine
    • NSC86679
    • 4-Amino-4'-nitrodiphenylmethane
    • NCIOpen2_005030
    • SMR001560629
    • XTAVQWSBKJAURD-UHFFFAOYSA-N
    • p-Toluidine, .alpha.-(p-nitrophenyl)-
    • 4-(4-nitrophenyl)methylaniline
    • NSC 86679
    • SCHEMBL2917313
    • Benzenamine, 4-[(4-nitrophenyl)methyl]-
    • NSC-86679
    • CHEMBL1706106
    • DTXSID40222921
    • HMS3087C11
    • Benzenamine, 4-((4-nitrophenyl)methyl)-
    • MLS002694706
    • 726-17-0
    • Inchi： 1S/C13H12N2O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(16)17/h1-8H,9,14H2
    • InChI Key： XTAVQWSBKJAURD-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)CC1C=CC(=CC=1)N)=O

Computed Properties

  • Exact Mass: 228.09000
  • Monoisotopic Mass: 228.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 249
  • 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: 2.1
  • Topological Polar Surface Area: 71.8?2

Experimental Properties

  • PSA: 71.84000
  • LogP: 3.87220

4-(4-Nitrobenzyl)aniline Related Literature

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