
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5614-53-9 |
| Catalog No. | 2A-3186951 |
| Chinese Name | 多索茶碱杂质01 |
| Synonyms | 7-theophyllineacetaldehyde; theophylline-7-acetaldehyde |
| Molecular Formula | C9H10N4O3 |
| Molecular Weight | 196.16 |
| HTC | 2933990090 |
| PubChem ID | 46170617 |
| MDL Number | MFCD00009740 |
| SMILES | Cn1c(=O)c2c(ncn2CC=O)n(C)c1=O |
| InChI | InChI=1S/C9H10N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h4-5H,3H2,1-2H3 |
| InChI Key | LXIWYKGAOIXZFO-UHFFFAOYSA-N |
| Beilstein/REAXYS | 193698 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| 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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