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74409-52-2

Name 1-(3-CHLOROPROPYL)THEOBROMINE
CAS 74409-52-2
Molecular Formula C10H13ClN4O2
MDL Number MFCD00059926
Molecular Weight 256.69
MOL File 74409-52-2.mol
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Chemical Properties

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 Data

Safety Statements 
HS Code  2939.80.0000

Hazard Information

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