Cas no 57404-41-8 (1,2-Ethanediamine, N-(2-phenoxyethyl)-)

1,2-Ethanediamine, N-(2-phenoxyethyl)- structure
57404-41-8 structure
Product Name:1,2-Ethanediamine, N-(2-phenoxyethyl)-
CAS No:57404-41-8
MF:C10H16N2O
MW:180.246842384338
CID:345472
PubChem ID:13538994
Update Time:2025-04-19

1,2-Ethanediamine, N-(2-phenoxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediamine, N-(2-phenoxyethyl)-
    • N'-(2-phenoxyethyl)ethane-1,2-diamine
    • N~1~-(2-Phenoxyethyl)ethane-1,2-diamine
    • UQFPECCIGVEHBS-UHFFFAOYSA-N
    • AKOS011422967
    • SCHEMBL10576211
    • 57404-41-8
    • DTXSID40543244
    • Inchi: 1S/C10H16N2O/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
    • InChI Key: UQFPECCIGVEHBS-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)CCNCCN

Computed Properties

  • Exact Mass: 180.12638
  • Monoisotopic Mass: 180.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 114
  • 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: 0.5
  • Topological Polar Surface Area: 47.3?2

Experimental Properties

  • PSA: 47.28
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