Cas no 138749-44-7 (4-[1-(4-Aminophenyl)-3,3,5-trimethylcyclohexyl]aniline)

4-[1-(4-Aminophenyl)-3,3,5-trimethylcyclohexyl]aniline structure
138749-44-7 structure
Product Name:4-[1-(4-Aminophenyl)-3,3,5-trimethylcyclohexyl]aniline
CAS No:138749-44-7
MF:C21H28N2
MW:308.460425376892
CID:2773436
PubChem ID:20667347
Update Time:2025-04-21

4-[1-(4-Aminophenyl)-3,3,5-trimethylcyclohexyl]aniline Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL21798753
    • 2~3~,2~3~,2~5~-Trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diamine
    • DTXSID10609326
    • 138749-44-7
    • 4-[1-(4-Aminophenyl)-3,3,5-trimethylcyclohexyl]aniline
    • Inchi: 1S/C21H28N2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15H,12-14,22-23H2,1-3H3
    • InChI Key: BDFOELUHQOTNRK-UHFFFAOYSA-N
    • SMILES: NC1C=CC(=CC=1)C1(C2C=CC(=CC=2)N)CC(C)CC(C)(C)C1

Computed Properties

  • Exact Mass: 308.225248902Da
  • Monoisotopic Mass: 308.225248902Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 365
  • 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: 5.7
  • Topological Polar Surface Area: 52?2
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