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)
pka	0.47±0.70(Predicted)
form	Solid
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 Statements	22-24/25
HS Code	2939.80.0000