Cas no 22503-12-4 (1,2-Benzenediamine,3,6-bis(1,1-dimethylethyl)-)

1,2-Benzenediamine,3,6-bis(1,1-dimethylethyl)- structure
22503-12-4 structure
Product Name:1,2-Benzenediamine,3,6-bis(1,1-dimethylethyl)-
CAS No:22503-12-4
MF:C14H24N2
MW:220.353763580322
CID:250865
PubChem ID:13063768
Update Time:2025-04-19

1,2-Benzenediamine,3,6-bis(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediamine,3,6-bis(1,1-dimethylethyl)-
    • o-Phenylenediamine,3,6-di-tert-butyl- (8CI)
    • SCHEMBL19119512
    • 3,6-Di-tert-butylbenzene-1,2-diamine
    • 22503-12-4
    • Inchi: 1S/C14H24N2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-8H,15-16H2,1-6H3
    • InChI Key: OIACXVSXOPGZBT-UHFFFAOYSA-N
    • SMILES: NC1C(=C(C=CC=1C(C)(C)C)C(C)(C)C)N

Computed Properties

  • Exact Mass: 220.193948774g/mol
  • Monoisotopic Mass: 220.193948774g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 3.9
  • Topological Polar Surface Area: 52?2
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