Chemical Properties of Purine-6(1h)-one, 1-benzyl- (CAS 7074-59-1)

Purine-6(1h)-one, 1-benzyl-

InChI
InChI=1S/C12H10N4O/c17-12-10-11(14-7-13-10)15-8-16(12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14)
InChI Key
SVDKHKDEPPBDQZ-UHFFFAOYSA-N
Formula
C12H10N4O
SMILES
O=c1c2[nH]cnc2ncn1Cc1ccccc1
Molecular Weight1
226.23
CAS
7074-59-1
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Physical Properties

Property Value Unit Source
ω 0.6145 Relay (1.0) Calculated Property
ΔfG° 353.00 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 208.29 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.39 kJ/mol Relay (1.0) Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
log10WS -2.83 Relay (1.0) Calculated Property
logPoct/wat 0.686 Crippen Calculated Property
McVol 163.050 ml/mol McGowan Calculated Property
Pc 4327.47 kPa Relay (1.0-beta) Calculated Property
Tboil 674.77 K Relay (1.0) Calculated Property
Tc 1008.22 K Relay (1.0) Calculated Property
Tfus 508.65 K Relay (1.0) Calculated Property
Vc 0.623 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Purine-6(3h)-one, 3-benzyl-. 9H-purine-6(1h)-one, 9-benzyl-. Hypoxanthine, 1-allyl-9-benzyl-. Hypoxanthine, 1-benzyl-9-cyclopentyl-. Hypoxanthine, 9-benzyl-2-chloro-. P-toluenesulfonamide, alpha-(1,6-dihydro-6-oxo-9h-purin-9-yl)-. Hypoxanthine, 2-(1-aziridinyl)-9-benzyl-. 9H-purin-6(1h)-one, 9-benzyl-2-dimethylamino-. 9H-purine-6(1h)-thione, 9-benzyl-1-[2-(p-tolylthio)ethyl]-. 9H-purine, 2,6-diamino-9-benzyl-. Ethanol, 2,2'-[(9-benzyl-9h-purin-6-yl)imino]di-. Purine-6(1h)-one, 1-[2-(p-tolythio)ethyl]-. 9H-purine, 6-aziridinyl-9-benzyl-. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Uridine, 2',5'-bis-O-TBDMS, 3'-O-TFA.

Find more compounds similar to Purine-6(1h)-one, 1-benzyl-.

Sources

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