Introduction：Basic information about 1-(3-CHLOROPROPYL)THEOBROMINE CAS 74409-52-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-(3-CHLOROPROPYL)THEOBROMINE Basic information
| Product Name: | 1-(3-CHLOROPROPYL)THEOBROMINE |
| Synonyms: | 1-(3-CHLOROPROPYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE;1-(3-CHLOROPROPYL)-3,7-DIMETHYLXANTHINE;1-(3-CHLOROPROPYL)THEOBROMINE;Chloropropyltheobromine;1-(3-Chloropropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione1-(3-Chloropropyl)-3,7-dimethylxanthine;1-(3-Chloropropyl)-3,7-diMethyl-1H-purine-2,6(3H,7H)-dione;1-(3-Chloro-propyl)-3,7-diMethyl-3,7-dihydro-purine-2,6-dione;1H-Purine-2,6-dione,1-(3-chloropropyl)-3,7-dihydro-3,7-diMethyl- |
| CAS: | 74409-52-2 |
| MF: | C10H13ClN4O2 |
| MW: | 256.69 |
| EINECS: | |
| Product Categories: | Alkaloids;Alkaloids (Others);Biochemistry |
| Mol File: | 74409-52-2.mol |
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1-(3-CHLOROPROPYL)THEOBROMINE Chemical Properties
| Melting point | 145°C |
| Boiling point | 478.2±51.0 °C(Predicted) |
| density | 1.45 |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 0.47±0.70(Predicted) |
| color | White |
| Stability: | Moisture Sensitive |
| InChI | InChI=1S/C10H13ClN4O2/c1-13-6-12-8-7(13)9(16)15(5-3-4-11)10(17)14(8)2/h6H,3-5H2,1-2H3 |
| InChIKey | JMOWKXFNJSTXBW-UHFFFAOYSA-N |
| SMILES | N1(C)C2=C(N(C)C(=O)N(CCCCl)C2=O)N=C1 |
Safety Information
| Safety Statements | 22-24/25 |
| HS Code | 2939.80.0000 |
1-(3-CHLOROPROPYL)THEOBROMINE Usage And Synthesis
1-(3-CHLOROPROPYL)THEOBROMINE Preparation Products And Raw materials
