136199-02-5

Name 1,3-dipropyl-8-(3-noradamantyl)xanthine
CAS 136199-02-5
Molecular Formula C20H28N4O2
MDL Number MFCD00899862
Molecular Weight 356.46
MOL File 136199-02-5.mol

Chemical Properties

Boiling point  578.0±42.0 °C(Predicted)
density  1.262±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble20mg/mL
form  solid
pka 9.23±0.70(Predicted)
color  White to off-white
InChI 1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14-,20-
InChIKey PJBFVWGQFLYWCB-OYEQCZOJSA-N
SMILES CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@]34C[C@H]5C[C@H](C[C@@H]3C5)C4

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H413
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4

Hazard Information

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