Cas no 23043-88-1 (7-Ethyl Theophylline)

7-Ethyl Theophylline structure
7-Ethyl Theophylline structure
Product Name:7-Ethyl Theophylline
CAS No:23043-88-1
MF:C9H12N4O2
MW:208.21718120575
CID:255858
PubChem ID:89976
Update Time:2025-04-19

7-Ethyl Theophylline Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dimethyl-
    • 7-Ethyl Theophylline
    • 7-ethyl-1,3-dimethylpurine-2,6-dione
    • 1,3-Dimethyl-7-ethylxanthine
    • 7-ethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
    • 7-ethyl-1,3-dimethylxanthine
    • 7-ETHYL-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE
    • ethyl-7 dimethyl-1,3 xanthine
    • Ethyltheophylline
    • Ethyltheophylline (VAN)
    • Theophylline,7-ethyl
    • DTXSID00177605
    • ETHYLTHEOPHYLLINE [VAN]
    • 1H,1H,2H-PERFLUORODIPROPYLETHER
    • 7-Ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
    • NS00113806
    • Z112207566
    • 1H-Purine-2, 7-ethyl-3,7-dihydro-1,3-dimethyl-
    • Theophylline, 7-ethyl-
    • NSC-515485
    • AKOS000722124
    • 7-Ethyltheophylline
    • Ethylteofyllin
    • 23043-88-1
    • SCHEMBL516014
    • NSC 515485
    • 7-Ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
    • 7-ethyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • RPOQNHMXOPWCEK-UHFFFAOYSA-N
    • NSC515485
    • Q27259500
    • 4EZ53T6D01
    • 7-ethyl-1, 3-dimethylpurine-2, 6-dione
    • J-014954
    • UNII-4EZ53T6D01
    • FT-0668397
    • DB-253622
    • 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-
    • Theophylline, 7-ethyl-(8CI)
    • DTXCID20100096
    • STK851615
    • 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-(9CI)
    • 7-Ethyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; 7-Ethyl-1,3-dimethylxanthine; 7-Ethyltheophylline; Ethyltheophylline; NSC 515485;
    • Inchi: 1S/C9H12N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h5H,4H2,1-3H3
    • InChI Key: RPOQNHMXOPWCEK-UHFFFAOYSA-N
    • SMILES: O=C1C2=C(N=CN2CC)N(C)C(N1C)=O

Computed Properties

  • Exact Mass: 208.09600
  • Monoisotopic Mass: 208.096
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 307
  • 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: _0.2
  • Topological Polar Surface Area: 58.4A^2

Experimental Properties

  • Density: 1.2480 (rough estimate)
  • Melting Point: 148-150°C
  • Boiling Point: 347.41°C (rough estimate)
  • Flash Point: 206.9°C
  • Refractive Index: 1.6590 (estimate)
  • PSA: 61.82000
  • LogP: -0.54640

7-Ethyl Theophylline Security Information

  • Storage Condition:-20°C Freezer

7-Ethyl Theophylline Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

7-Ethyl Theophylline Pricemore >>

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7-Ethyl Theophylline Production Method

7-Ethyl Theophylline Related Literature

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