Cas no 66877-41-6 (2-amino-4-[(1R,2S)-2-(3-amino-4-hydroxyphenyl)-1-ethylbutyl]phenol)

2-amino-4-[(1R,2S)-2-(3-amino-4-hydroxyphenyl)-1-ethylbutyl]phenol structure
66877-41-6 structure
Product Name:2-amino-4-[(1R,2S)-2-(3-amino-4-hydroxyphenyl)-1-ethylbutyl]phenol
CAS No:66877-41-6
MF:C18H24N2O2
MW:300.395364761353
CID:1718902
PubChem ID:3050660
Update Time:2025-04-21

2-amino-4-[(1R,2S)-2-(3-amino-4-hydroxyphenyl)-1-ethylbutyl]phenol Chemical and Physical Properties

Names and Identifiers

    • 2-amino-4-[(1R,2S)-2-(3-amino-4-hydroxyphenyl)-1-ethylbutyl]phenol
    • Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-amino-, (R*,S*)-
    • 4-13-00-02874 (Beilstein Handbook Reference)
    • 4,4'-(1,2-Diethylethylene)bis(2-aminophenol)
    • DTXSID70217027
    • Phenol, 4,4'-(1,2-diethylethylene)bis(2-amino-
    • 66877-41-6
    • BRN 2762967
    • Inchi: 1S/C18H24N2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4,19-20H2,1-2H3/t13-,14+
    • InChI Key: UTINGAQXLPFZLX-OKILXGFUSA-N
    • SMILES: OC1C=CC(=CC=1N)[C@@H](CC)[C@H](C1C=CC(=C(C=1)N)O)CC

Computed Properties

  • Exact Mass: 300.18392
  • Monoisotopic Mass: 300.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 92.5?2

Experimental Properties

  • PSA: 92.5
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