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77196-87-3

Name 1,1'-Methylene Bis[TheobroMine]
CAS 77196-87-3
Molecular Formula C15H16N8O4
MDL Number MFCD27978073
Molecular Weight 372.34
MOL File 77196-87-3.mol
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Chemical Properties

Melting point  >300oC (dec.)
Boiling point  727.1±70.0 °C(Predicted)
density  1.69±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  TFA (Slightly)
form  Solid
pka 0.65±0.70(Predicted)
color  White to Off-White
InChI InChI=1S/C15H16N8O4/c1-18-5-16-10-8(18)12(24)22(14(26)20(10)3)7-23-13(25)9-11(17-6-19(9)2)21(4)15(23)27/h5-6H,7H2,1-4H3
InChIKey JQLBZHMVLVGVBB-UHFFFAOYSA-N
SMILES C(N1C(=O)C2=C(N(C)C1=O)N=CN2C)N1C(=O)C2=C(N(C)C1=O)N=CN2C

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