CAS Number74409-52-2
Synonyms1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione; 1-(3-Chloropropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 1-(3-Chloropropyl)theobromine
Molecular FormulaC10H13ClN4O2
Molecular Weight256.689
Density1.5±0.1 g/cm3
Boiling Point478.2±51.0 °C at 760 mmHg
Melting Point145ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 74409-52-2 |
| Catalog No. | 2A-9084573 |
| Chinese Name | 1-(3-氯丙基)可可碱 |
| Synonyms | 1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione; 1-(3-Chloropropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 1-(3-Chloropropyl)theobromine |
| Molecular Formula | C10H13ClN4O2 |
| Molecular Weight | 256.689 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 478.2±51.0 °C at 760 mmHg |
| Melting Point | 145ºC |
| Storage Condition | room temperature |
| HTC | 2933990090 |
| SMILES | Cn1cnc2c1c(=O)n(CCCCl)c(=O)n2C |
| InChI Key | JMOWKXFNJSTXBW-UHFFFAOYSA-N |
| MSDS | msds/84573_1_74409_52_2.pdf |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 95.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified 1-(3-Chloropropyl)theobromine Modification number: 5 |
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