1-(3-CHLOROPROPYL)THEOBROMINE
- CAS:74409-52-2
- MF:C10H13ClN4O2
- MW:256.69
- 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)
- 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
- Symbol(GHS)
GHS07
- Signal word
- Warning
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501