| Identification | Back Directory | [Name]
1-(3-CHLOROPROPYL)THEOBROMINE | [CAS]
74409-52-2 | [Synonyms]
Chloropropyltheobromine
1-(3-CHLOROPROPYL)THEOBROMINE
1-(3-Chloropropyl)theobromine >
1-(3-CHLOROPROPYL)-3,7-DIMETHYLXANTHINE
1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione
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
1-(3-CHLOROPROPYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
1H-Purine-2,6-dione,1-(3-chloropropyl)-3,7-dihydro-3,7-diMethyl-
1-(3-Chloropropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
1-(3-Chloropropyl)-3,7-dimethylxanthine | [Molecular Formula]
C10H13ClN4O2 | [MDL Number]
MFCD00059926 | [MOL File]
74409-52-2.mol | [Molecular Weight]
256.69 |
| Chemical Properties | Back Directory | [Melting point ]
145°C | [Boiling point ]
478.2±51.0 °C(Predicted) | [density ]
1.45 | [storage temp. ]
Inert atmosphere,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 |
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