Cas no 95285-11-3 (1,4-Butanediamine,N1,N4-bis(1-methyl-2-phenylethyl)-)

1,4-Butanediamine,N1,N4-bis(1-methyl-2-phenylethyl)- structure
95285-11-3 structure
Product Name:1,4-Butanediamine,N1,N4-bis(1-methyl-2-phenylethyl)-
CAS No:95285-11-3
MF:C22H32N2
MW:324.502885818481
CID:806773
PubChem ID:125310
Update Time:2025-04-19

1,4-Butanediamine,N1,N4-bis(1-methyl-2-phenylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Butanediamine,N1,N4-bis(1-methyl-2-phenylethyl)-
    • mesotrin
    • Mezotrin
    • 95285-11-3
    • DTXSID50915039
    • N,N'-Bis(phenylisopropyl)tetramethylenediamine
    • 1,4-Butanediamine, N,N'-bis(1-methyl-2-phenylethyl)-
    • N~1~,N~4~-Bis(1-phenylpropan-2-yl)butane-1,4-diamine
    • N,N'-bis(1-phenylpropan-2-yl)butane-1,4-diamine
    • Inchi： 1S/C22H32N2/c1-19(17-21-11-5-3-6-12-21)23-15-9-10-16-24-20(2)18-22-13-7-4-8-14-22/h3-8,11-14,19-20,23-24H,9-10,15-18H2,1-2H3
    • InChI Key： WQJMQJVSPXMDNH-UHFFFAOYSA-N
    • SMILES： N(CCCCNC(C)CC1C=CC=CC=1)C(C)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 324.257
  • Monoisotopic Mass: 324.257
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 11
  • Complexity: 262
  • 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: 4.9
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • Density: 0.973
  • Boiling Point: 455.1°Cat760mmHg
  • Flash Point: 264.6°C
  • Refractive Index: 1.539

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