CAS Number2879-15-4
Synonyms1,3-Dimethyl-8-benzyl-xanthin; MFCD00067027; 8-benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; Theophylline,8-benzyl; EINECS 220-725-8; 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-(phenylmethyl); 8-Benzyltheophylline; 8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; 8-benzytheophylline; 8-Benzyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
Molecular FormulaC14H14N4O2
Molecular Weight270.28700
Density1.335 g/cm3
Boiling Point556.5ºC
Melting Point298-300ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2879-15-4 |
| Catalog No. | 2A-1194956 |
| Chinese Name | 8-苄基茶碱 |
| Synonyms | 1,3-Dimethyl-8-benzyl-xanthin; MFCD00067027; 8-benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; Theophylline,8-benzyl; EINECS 220-725-8; 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-(phenylmethyl); 8-Benzyltheophylline; 8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; 8-benzytheophylline; 8-Benzyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion |
| Molecular Formula | C14H14N4O2 |
| Molecular Weight | 270.28700 |
| Density | 1.335 g/cm3 |
| Boiling Point | 556.5ºC |
| Melting Point | 298-300ºC |
| Storage Condition | 2-8℃ |
| HTC | 2933990090 |
| PubChem ID | 78364 |
| SMILES | Cn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(C)c1=O |
| InChI | InChI=1S/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16) |
| InChI Key | SWKGFZTXWQMFLK-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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