Cas no 286425-41-0 (phenacetin-ethoxy-2-13C)

Phenacetin-ethoxy-2-13C is a stable isotope-labeled analog of phenacetin, where the ethoxy group is enriched with carbon-13 at the second position. This labeled compound is primarily used as an internal standard in quantitative mass spectrometry, ensuring high accuracy in pharmacokinetic and metabolic studies. The 13C-labeling minimizes interference with unlabeled analytes, improving analytical precision. Its structural integrity matches native phenacetin, facilitating reliable tracer applications in drug metabolism research. The compound is synthesized under stringent conditions to achieve high isotopic purity (>99%), making it suitable for advanced LC-MS and NMR techniques. Its stability and consistent performance support rigorous scientific investigations in pharmaceutical and biochemical research.
phenacetin-ethoxy-2-13C structure
phenacetin-ethoxy-2-13C structure
Product Name:phenacetin-ethoxy-2-13C
CAS No:286425-41-0
MF:C10H13NO2
MW:180.208377599716
CID:1435814
PubChem ID:10154320
Update Time:2025-05-27

phenacetin-ethoxy-2-13C Chemical and Physical Properties

Names and Identifiers

    • phenacetin-ethoxy-2-13C
    • N-{4-[(2-~13~C)ethyloxy]phenyl}acetamide
    • N-(4-ethoxyphenyl)acetamide
    • 286425-41-0
    • Phenacetin-ethoxy-2-13C, 99 atom % 13C
    • DTXSID70436236
    • J-017173
    • Phenacetin-ethoxy-2-13c,99 atom % 13c
    • N-(4-Ethoxy-2-13C-phenyl)acetamide
    • N-(4-(213C)ethoxyphenyl)acetamide
    • Inchi： 1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)/i1+1
    • InChI Key： CPJSUEIXXCENMM-OUBTZVSYSA-N
    • SMILES： O(C[13CH3])C1C=CC(=CC=1)NC(C)=O

Computed Properties

  • Exact Mass: 180.097983493g/mol
  • Monoisotopic Mass: 180.097983493g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 162
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Color/Form: solid
  • Density: 1.099
  • Melting Point: 134-136?°C(lit.)
  • Flash Point: 86℃
  • Refractive Index: 1.549
  • Solubility: Not determined

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
493031-500MG
phenacetin-ethoxy-2-13C
 286425-41-0
500mg
 ￥6369.01 2023-12-05
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA04453-500mg
phenacetin-ethoxy-2-13C
 286425-41-0 -
500mg
 ￥11868.0 2024-07-18
SHENG KE LU SI SHENG WU JI SHU
sc-236346-500 mg
Phenacetin-ethoxy-2-13C,
 286425-41-0
500MG
 ￥4,663.00 2023-07-10
SHENG KE LU SI SHENG WU JI SHU
sc-236346-500mg
Phenacetin-ethoxy-2-13C,
 286425-41-0
500mg
 ￥4663.00 2023-09-05

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