Cas no 53626-69-0 (1,4-Benzenediamine, N-sec-heptyl-N'-phenyl-)

1,4-Benzenediamine, N-sec-heptyl-N'-phenyl- structure
53626-69-0 structure
Product Name:1,4-Benzenediamine, N-sec-heptyl-N'-phenyl-
CAS No:53626-69-0
MF:C19H26N2
MW:282.423144817352
CID:356826
PubChem ID:22245215
Update Time:2025-04-19

1,4-Benzenediamine, N-sec-heptyl-N'-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N-sec-heptyl-N'-phenyl-
    • 4-N-heptan-2-yl-1-N-phenylbenzene-1,4-diamine
    • N~1~-(Heptan-2-yl)-N~4~-phenylbenzene-1,4-diamine
    • 53626-69-0
    • DTXSID20623790
    • SCHEMBL1662136
    • Inchi: 1S/C19H26N2/c1-3-4-6-9-16(2)20-18-12-14-19(15-13-18)21-17-10-7-5-8-11-17/h5,7-8,10-16,20-21H,3-4,6,9H2,1-2H3
    • InChI Key: BESSXHKSLAMFFX-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(=CC=1)NC1C=CC=CC=1)C(C)CCCCC

Computed Properties

  • Exact Mass: 282.20978
  • Monoisotopic Mass: 282.209598838g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 8
  • Complexity: 252
  • 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: 6.2
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • PSA: 24.06

1,4-Benzenediamine, N-sec-heptyl-N'-phenyl- Related Literature

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