Cas no 5426-45-9 (1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(methylamino)-)

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(methylamino)- structure
5426-45-9 structure
Product Name:1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(methylamino)-
CAS No:5426-45-9
MF:C8H11N5O2
MW:209.205240488052
CID:376735
PubChem ID:225041
Update Time:2025-04-19

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(methylamino)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(methylamino)-
    • 1,3-dimethyl-8-(methylamino)-7H-purine-2,6-dione
    • 1,3-dimethyl-8-methylamino-7H-purine-2,6-dione
    • 1,3-Dimethyl-8-methylamino-3,7-dihydro-purin-2,6-dion
    • 1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione
    • 8-Methylamino-theophyllin
    • 8-methylaminotheophylline
    • HMS1667K20
    • CCG-245825
    • Z359297586
    • 8-methylaminotheophyllin
    • NSC-14101
    • SCHEMBL516338
    • 5426-45-9
    • NSC14101
    • DTXSID40279773
    • Oprea1_217759
    • AKOS009227229
    • 1,3-dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione
    • Inchi： 1S/C8H11N5O2/c1-9-7-10-4-5(11-7)12(2)8(15)13(3)6(4)14/h1-3H3,(H2,9,10,11)
    • InChI Key： KPSYSSQIKZMIBA-UHFFFAOYSA-N
    • SMILES： O=C1C2=C(N=C(NC)N2)N(C)C(N1C)=O

Computed Properties

  • Exact Mass: 209.09100
  • Monoisotopic Mass: 209.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • 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: 0.3
  • Topological Polar Surface Area: 81.3?2

Experimental Properties

  • Density: 1.469
  • Boiling Point: 436.3°Cat760mmHg
  • Flash Point: 217.7°C
  • Refractive Index: 1.663
  • PSA: 84.71000
  • LogP: -0.92500

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(methylamino)- 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%

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(methylamino)- Related Literature

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