Chemical Properties of p-Toluenesulfonamide, alpha-9H-adenin-9-yl- (CAS 21267-98-1)

p-Toluenesulfonamide, alpha-9H-adenin-9-yl-

InChI
InChI=1S/C12H12N6O2S/c13-11-10-12(16-6-15-11)18(7-17-10)5-8-1-3-9(4-2-8)21(14,19)20/h1-4,6-7H,5H2,(H2,13,15,16)(H2,14,19,20)
InChI Key
HYYXGPTXYDTDSM-UHFFFAOYSA-N
Formula
C12H12N6O2S
SMILES
Nc1ncnc2c1ncn2Cc1ccc(S(N)(=O)=O)cc1
Molecular Weight1
304.33
CAS
21267-98-1
Other Names
  • «alpha»-[6-Amino-9H-purin-9-yl]-p-toluenesulfonamide
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Physical Properties

Property Value Unit Source
ω 0.8901 Relay (1.0) Calculated Property
ΔfG° 321.77 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 68.32 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 141.14 kJ/mol Relay (1.0) Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
log10WS -3.42 Relay (1.0) Calculated Property
logPoct/wat 0.104 Crippen Calculated Property
McVol 205.230 ml/mol McGowan Calculated Property
Pc 3354.40 kPa Relay (1.0-beta) Calculated Property
Tboil 721.03 K Relay (1.0) Calculated Property
Tc 1131.70 K Relay (1.0) Calculated Property
Tfus 561.87 K Relay (1.0) Calculated Property
Vc 0.754 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

p-Toluenesulfonamide, alpha-[6-(methylthio)-9H-purin-9-yl]-. P-toluenesulfonamide, alpha-9h-purin-9-yl-. P-toluenesulfonamide, alpha-(1,6-dihydro-6-oxo-9h-purin-9-yl)-. 9H-purine, 2,6-diamino-9-benzyl-. (E)-Eruciflorine. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS.

Find more compounds similar to p-Toluenesulfonamide, alpha-9H-adenin-9-yl-.

Sources

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