ChemicalBook--->CAS DataBase List--->74409-52-2

74409-52-2

74409-52-2 Structure

74409-52-2 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Safety Statements ]

22-24/25
[HS Code ]

2939.80.0000
Hazard InformationBack Directory
[Uses]

suzuki reaction
Spectrum DetailBack Directory
[Spectrum Detail]

1-(3-CHLOROPROPYL)THEOBROMINE(74409-52-2)1HNMR
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