Cas no 66011-44-7 (1,2-Benzenediamine, 4-(1-methyl-1-phenylethyl)-)

1,2-Benzenediamine, 4-(1-methyl-1-phenylethyl)- structure
66011-44-7 structure
Product Name:1,2-Benzenediamine, 4-(1-methyl-1-phenylethyl)-
CAS No:66011-44-7
MF:C15H18N2
MW:226.316823482513
CID:396977
PubChem ID:53900210
Update Time:2025-04-19

1,2-Benzenediamine, 4-(1-methyl-1-phenylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediamine, 4-(1-methyl-1-phenylethyl)-
    • 4-(2-phenylpropan-2-yl)benzene-1,2-diamine
    • 66011-44-7
    • SCHEMBL7251967
    • DTXSID50707512
    • Inchi: 1S/C15H18N2/c1-15(2,11-6-4-3-5-7-11)12-8-9-13(16)14(17)10-12/h3-10H,16-17H2,1-2H3
    • InChI Key: HWONVKMOFXVGCX-UHFFFAOYSA-N
    • SMILES: NC1=C(C=CC(=C1)C(C)(C)C1C=CC=CC=1)N

Computed Properties

  • Exact Mass: 226.14714
  • Monoisotopic Mass: 226.146998583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 243
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • PSA: 52.04
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