Cas no 61263-03-4 (1,4-Benzenediamine, N,N'-bis(1-methylbutyl)-)

1,4-Benzenediamine, N,N'-bis(1-methylbutyl)- structure
61263-03-4 structure
Product Name:1,4-Benzenediamine, N,N'-bis(1-methylbutyl)-
CAS No:61263-03-4
MF:C16H28N2
MW:248.406924247742
CID:486668
PubChem ID:21331666
Update Time:2025-04-19

1,4-Benzenediamine, N,N'-bis(1-methylbutyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N,N'-bis(1-methylbutyl)-
    • 1-N,4-N-di(pentan-2-yl)benzene-1,4-diamine
    • 61263-03-4
    • SCHEMBL10079180
    • DTXSID40612565
    • N~1~,N~4~-Di(pentan-2-yl)benzene-1,4-diamine
    • Inchi: 1S/C16H28N2/c1-5-7-13(3)17-15-9-11-16(12-10-15)18-14(4)8-6-2/h9-14,17-18H,5-8H2,1-4H3
    • InChI Key: DGSKUUOFGKQLFF-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(=CC=1)NC(C)CCC)C(C)CCC

Computed Properties

  • Exact Mass: 248.22544
  • Monoisotopic Mass: 248.225248902g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • PSA: 24.06
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