Basic Information |
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Product Name: | 1,3-DIPROPYL-8-P-SULFOPHENYLXANTHINE |
CAS: | 89073-57-4 |
English Synonyms: | 1,3-DIPROPYL-8-P-SULFOPHENYLXANTHINE ; 4-(2,3,6,7-TETRAHYDRO-2,6-DIOXO-1,3-DIPROPYL-1H-PURIN-8-YL)-BENZENESULFONIC ACID |
MDL Number.: | MFCD00055080 |
H bond acceptor: | 9 |
H bond donor: | 2 |
Smile: | CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3)S(=O)(=O)O |
InChi: | InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26) |
InChiKey: | InChIKey=IWALGNIFYOBRKC-UHFFFAOYSA-N |
Property |
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Melting Point: | -17℃ |
Boiling Point: | 145-146℃ |
Safety information |
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Symbol: | GHS02 |
Signal word: | Warning |
Hazard statements: | H226 |
Safe Code: | S:S23;S24/25 |
UN Code: | 1224 |
WGK Germany: | 3 |
Flash point: | 56 °C |
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