Chemical Properties of 9H-purine-6(1h)-one, 9-benzyl- (CAS 14013-11-7)

9H-purine-6(1h)-one, 9-benzyl-

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InChI
InChI=1S/C12H10N4O/c17-12-10-11(13-7-14-12)16(8-15-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14,17)
InChI Key
FEHXCQIELXUATK-UHFFFAOYSA-N
Formula
C12H10N4O
SMILES
O=c1[nH]cnc2c1ncn2Cc1ccccc1
Molecular Weight1
226.23
CAS
14013-11-7
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Physical Properties

Property Value Unit Source
ω 0.6286 Relay (... Calculated Property
ΔfG° 341.31 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 215.04 kJ/mol Relay (... Calculated Property
ΔvapH° 119.23 kJ/mol Relay (... Calculated Property
IE 8.71 eV Relay (... Calculated Property
log10WS -2.95 Relay (... Calculated Property
logPoct/wat 0.686 Crippen Calculated Property
McVol 163.050 ml/mol McGowan Calculated Property
Pc 4178.78 kPa Relay (... Calculated Property ⚠️
Tboil 675.10 K Relay (... Calculated Property
Tc 1005.37 K Relay (... Calculated Property
Tfus 526.92 K Relay (... Calculated Property
Vc 0.619 m3/kmol Relay (... Calculated Property

Similar Compounds

Hypoxanthine, 9-benzyl-2-chloro-. Purine-6(3h)-one, 3-benzyl-. P-toluenesulfonamide, alpha-(1,6-dihydro-6-oxo-9h-purin-9-yl)-. 9H-purin-6(1h)-one, 9-benzyl-2-dimethylamino-. Hypoxanthine, 2-(1-aziridinyl)-9-benzyl-. Hypoxanthine, 1-allyl-9-benzyl-. Purine-6(1h)-one, 1-benzyl-. 7H-tetrazolo[5,1-i]purine, 7-benzyl-. 9H-purine, 2,6-diamino-9-benzyl-. 9H-purine-6(1h)-thione, 9-benzyl-1-[2-(p-tolylthio)ethyl]-. 9H-purine, 9-benzyl-6-methyl-. Hypoxanthine, 1-benzyl-9-cyclopentyl-. Adenine, 9-benzyl-2-fluoro-. p-Toluenesulfonamide, alpha-9H-adenin-9-yl-. 7H-Purine, 7-benzyl-2,6-dichloro-.

Find more compounds similar to 9H-purine-6(1h)-one, 9-benzyl-.

Sources

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