Cas no 7464-84-8 (1,7-Dimethyl-3-isobutylxanthine)

1,7-Dimethyl-3-isobutylxanthine structure
7464-84-8 structure
Product Name:1,7-Dimethyl-3-isobutylxanthine
CAS No:7464-84-8
MF:C11H16N4O2
MW:236.270341873169
CID:47493
PubChem ID:343637
Update Time:2025-04-19

1,7-Dimethyl-3-isobutylxanthine Chemical and Physical Properties

Names and Identifiers

    • 1,7-Dimethyl-3-isobutylxanthine
    • 1,7-Dimethyl-3--(2-methylpropyl)purine-2,6-dione
    • 1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione
    • 3-Isobutyl-1,7-dimethyl-3,7-dihydro-purin-2,6-dion
    • 3-isobutyl-1,7-dimethyl-3,7-dihydro-purine-2,6-dione
    • 3-isobutyl-Paraxanthine
    • BDBM50025575
    • 7464-84-8
    • NSC-400043
    • NSC400043
    • DTXSID00321929
    • 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(2-methylpropyl)-
    • 1,7-dimethyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • CHEMBL25096
    • SCHEMBL1200300
    • 3-Isobutyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
    • Inchi： 1S/C11H16N4O2/c1-7(2)5-15-9-8(13(3)6-12-9)10(16)14(4)11(15)17/h6-7H,5H2,1-4H3
    • InChI Key： GJZLMIMXCYMPSI-UHFFFAOYSA-N
    • SMILES： O=C1N(C)C(C2=C(N=CN2C)N1CC(C)C)=O

Computed Properties

  • Exact Mass: 236.12700
  • Monoisotopic Mass: 236.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 344
  • 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
  • Topological Polar Surface Area: 58.4?2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 1.3
  • Boiling Point: 427 °C at 760 mmHg
  • Flash Point: 212.1 °C
  • Refractive Index: 1.625
  • PSA: 61.82000
  • LogP: 0.08970

1,7-Dimethyl-3-isobutylxanthine 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%

1,7-Dimethyl-3-isobutylxanthine Related Literature

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