Cas no 788-17-0 (1,4-Benzenediamine,N1-(1-methylpropyl)-N4-phenyl-)

1,4-Benzenediamine,N1-(1-methylpropyl)-N4-phenyl- structure
788-17-0 structure
Product Name:1,4-Benzenediamine,N1-(1-methylpropyl)-N4-phenyl-
CAS No:788-17-0
MF:C16H20N2
MW:240.343403816223
CID:569072
PubChem ID:102490
Update Time:2025-04-19

1,4-Benzenediamine,N1-(1-methylpropyl)-N4-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine,N1-(1-methylpropyl)-N4-phenyl-
    • 4-N-butan-2-yl-1-N-phenylbenzene-1,4-diamine
    • N-(1-methylpropyl)-N'-phenylbenzene-1,4-diamine
    • 1,4-Benzenediamine, N-(1-methylpropyl)-N'-phenyl-
    • N-(butan-2-yl)-N'-phenylbenzene-1,4-diamine
    • SCHEMBL93902
    • 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-
    • N-Phenyl-N'-sec-butyl-p-phenylendiamin
    • NS00042233
    • DTXSID90862412
    • EINECS 212-330-4
    • 788-17-0
    • Inchi: 1S/C16H20N2/c1-3-13(2)17-15-9-11-16(12-10-15)18-14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3
    • InChI Key: LIAVGCGPNJLGQT-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(=CC=1)NC1C=CC=CC=1)C(C)CC

Computed Properties

  • Exact Mass: 240.1628
  • Monoisotopic Mass: 240.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 215
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • Density: 1.068
  • Boiling Point: 391.5°C at 760 mmHg
  • Flash Point: 237.5°C
  • Refractive Index: 1.621
  • PSA: 24.06
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