Cas no 105321-50-4 (1-(3,4-Diethoxyphenyl)ethanamine)

1-(3,4-Diethoxyphenyl)ethanamine is a substituted phenethylamine derivative characterized by its ethoxy functional groups at the 3- and 4-positions of the phenyl ring. This compound is of interest in organic synthesis and pharmaceutical research due to its structural similarity to bioactive amines, which may serve as intermediates for the development of pharmacologically active molecules. The presence of ethoxy substituents enhances its lipophilicity, potentially improving membrane permeability in biological systems. Its well-defined chemical structure allows for precise modifications, making it a versatile building block in medicinal chemistry. The compound is typically handled under controlled conditions due to its reactivity as a primary amine.
1-(3,4-Diethoxyphenyl)ethanamine structure
105321-50-4 structure
Product Name:1-(3,4-Diethoxyphenyl)ethanamine
CAS No:105321-50-4
MF:C12H19NO2
MW:209.2847635746
CID:1004687
PubChem ID:2917743
Update Time:2025-06-07

1-(3,4-Diethoxyphenyl)ethanamine Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-Diethoxyphenyl)ethanamine
    • 1-(3,4-Diethoxy-phenyl)-ethylamine
    • 1-(3,4-diethoxyphenyl)ethylamine
    • AC1MFDWQ
    • AC1Q37HE
    • CTK4A3738
    • SBB011230
    • 105321-50-4
    • SB78468
    • Z90664475
    • SCHEMBL10361478
    • STK873741
    • EN300-07804
    • AKOS000245869
    • AKOS016887315
    • DTXSID10387814
    • LS-09265
    • 1-(3,4-diethoxyphenyl)ethan-1-amine
    • DL-HOMOCYSTEINETHIOLACTONE
    • MDL: MFCD03992482
    • Inchi: 1S/C12H19NO2/c1-4-14-11-7-6-10(9(3)13)8-12(11)15-5-2/h6-9H,4-5,13H2,1-3H3
    • InChI Key: OXUSXEBIIDKQFW-UHFFFAOYSA-N
    • SMILES: O(CC)C1=C(C=CC(=C1)C(C)N)OCC

Computed Properties

  • Exact Mass: 209.14167
  • Monoisotopic Mass: 209.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 175
  • 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: 1.9
  • Topological Polar Surface Area: 44.5?2

Experimental Properties

  • PSA: 44.48

1-(3,4-Diethoxyphenyl)ethanamine Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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$ 230.00 2022-06-07
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