Chemical Properties of Triazolo [4,5-d] pyrimidine, 3h-v-, 7-(octyloxy)- (CAS 94523-45-2)

Triazolo [4,5-d] pyrimidine, 3h-v-, 7-(octyloxy)-

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InChI
InChI=1S/C12H19N5O/c1-2-3-4-5-6-7-8-18-12-10-11(13-9-14-12)16-17-15-10/h9H,2-8H2,1H3,(H,13,14,15,16,17)
InChI Key
QKLSRUHMQRNYCB-UHFFFAOYSA-N
Formula
C12H19N5O
SMILES
CCCCCCCCOc1ncnc2[nH]nnc12
Molecular Weight1
249.31
CAS
94523-45-2
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Physical Properties

Property Value Unit Source
ω 0.8195 Relay (... Calculated Property
ΔfG° 346.00 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 60.55 kJ/mol Relay (... Calculated Property
ΔvapH° 103.76 kJ/mol Relay (... Calculated Property
IE 9.18 eV Relay (... Calculated Property
log10WS -4.83 Relay (... Calculated Property
logPoct/wat 2.005 Crippen Calculated Property
McVol 196.790 ml/mol McGowan Calculated Property
Pc 2729.01 kPa Relay (... Calculated Property ⚠️
Tboil 622.50 K Relay (... Calculated Property
Tc 914.71 K Relay (... Calculated Property
Tfus 417.20 K Relay (... Calculated Property
Vc 0.782 m3/kmol Relay (... Calculated Property

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Find more compounds similar to Triazolo [4,5-d] pyrimidine, 3h-v-, 7-(octyloxy)-.

Sources

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