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1,3-Di-n-Butylxanthine
[CAS# 2850-36-4]

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Identification
Name 1,3-Di-n-Butylxanthine
Synonyms 1,3-Dibutyl-7H-Purine-2,6-Quinone; 1,3-Dibutyl-3,7-Dihydro-1H-Purine-2,6-Dione; 1,3-Dibutylxanthine
Molecular Structure CAS#: 2850-36-4, 1,3-Di-n-Butylxanthine
Molecular Formula C13H20N4O2
Molecular Weight 264.33
CAS Registry Number 2850-36-4
SMILES C1=NC2=C([NH]1)C(N(C(N2CCCC)=O)CCCC)=O
InChI 1S/C13H20N4O2/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)
InChIKey HDAPVDGMACVEKL-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 474.7±37.0°C at 760 mmHg (Cal.)
Flash point 240.9±26.5°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
Market Analysis Reports
List of Reports Available for 1,3-Di-n-Butylxanthine
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