8-Cyclopentyl-1,3-dipropylxanthine Structure

8-Cyclopentyl-1,3-dipropylxanthine

Chemical Properties

Melting point 178°C
Boiling point 535.1±42.0 °C(Predicted)
Density  1.195±0.06 g/cm3(Predicted)
storage temp.  Store at RT
solubility  DMSO: >10 mg/mL
pka 9.01±0.70(Predicted)
form  solid
color  white
Stability Store tightly sealed at RT; Solutions at 4°C for several days
InChI 1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKey FFBDFADSZUINTG-UHFFFAOYSA-N
SMILES CCCN1C(=O)N(CCC)c2nc([nH]c2C1=O)C3CCCC3
CAS DataBase Reference 102146-07-6(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 9PTP4FOI9E
UNSPSC Code 12352202
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3

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8-Cyclopentyl-1,3-dipropylxanthine Chemical Properties,Usage,Production

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8-Cyclopentyl-1,3-dipropylxanthine Spectrum