Cas no 58666-82-3 (1,4-Benzenediamine, N-(1-ethyl-3-methylpentyl)-N'-(1-methylethyl)-)

1,4-Benzenediamine, N-(1-ethyl-3-methylpentyl)-N'-(1-methylethyl)- structure
58666-82-3 structure
Product Name:1,4-Benzenediamine, N-(1-ethyl-3-methylpentyl)-N'-(1-methylethyl)-
CAS No:58666-82-3
MF:C17H30N2
MW:262.433504581451
CID:341308
PubChem ID:71443411
Update Time:2025-04-19

1,4-Benzenediamine, N-(1-ethyl-3-methylpentyl)-N'-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N-(1-ethyl-3-methylpentyl)-N'-(1-methylethyl)-
    • 4-N-(5-methylheptan-3-yl)-1-N-propan-2-ylbenzene-1,4-diamine
    • DTXSID30852236
    • 58666-82-3
    • N~1~-(5-Methylheptan-3-yl)-N~4~-(propan-2-yl)benzene-1,4-diamine
    • Inchi: 1S/C17H30N2/c1-6-14(5)12-15(7-2)19-17-10-8-16(9-11-17)18-13(3)4/h8-11,13-15,18-19H,6-7,12H2,1-5H3
    • InChI Key: MBOVVEXOFQXKAY-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(=CC=1)NC(C)C)C(CC)CC(C)CC

Computed Properties

  • Exact Mass: 262.2411
  • Monoisotopic Mass: 262.240898965g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 8
  • Complexity: 219
  • 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: 5.9
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • PSA: 24.06
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