Chemical Properties of Purine, 2,6-bis(benzamido)- (CAS 51173-57-0)

Purine, 2,6-bis(benzamido)-

InChI
InChI=1S/C19H14N6O2/c26-17(12-7-3-1-4-8-12)22-16-14-15(21-11-20-14)23-19(24-16)25-18(27)13-9-5-2-6-10-13/h1-11H,(H3,20,21,22,23,24,25,26,27)
InChI Key
OGTOITXPCGGWSB-UHFFFAOYSA-N
Formula
C19H14N6O2
SMILES
O=C(Nc1nc(NC(=O)c2ccccc2)c2nc[nH]c2n1)c1ccccc1
Molecular Weight1
358.35
CAS
51173-57-0
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Physical Properties

Property Value Unit Source
ω 0.8972 Relay (1.0) Calculated Property
ΔfG° 453.40 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 120.59 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 164.70 kJ/mol Relay (1.0) Calculated Property
IE 8.21 eV Relay (1.0) Calculated Property
log10WS -5.76 Relay (1.0) Calculated Property
logPoct/wat 2.376 Crippen Calculated Property
McVol 255.150 ml/mol McGowan Calculated Property
Pc 4498.91 kPa Relay (1.0-beta) Calculated Property
Tboil 733.71 K Relay (1.0) Calculated Property
Tc 1254.13 K Relay (1.0) Calculated Property
Tfus 640.59 K Relay (1.0) Calculated Property
Vc 0.947 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

p-Toluenesulfonamide, alpha-(purin-6-ylamino)-. Biotin, N,N'-tert-butyldimethylsilyl-, tert-butyldimethylsilyl ester. Biotin, N,N'-(trimethylsilyl)-, trimethylsilyl ester. Baptifoline. Epibaptifoline. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. risperidone. Quinine, trimethylsilyl ether. Zinc octaethylporphyrin chloride. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. N-Desmethylmirtazapine. xanthosine-5'-monophosphate, TMS. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to Purine, 2,6-bis(benzamido)-.

Sources

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