Chemical Properties of Purine, 6-(o-methoxyanilino)- (CAS 73663-97-5)

Purine, 6-(o-methoxyanilino)-

InChI
InChI=1S/C12H11N5O/c1-18-9-5-3-2-4-8(9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChI Key
IQOGGWLYHJXIIF-UHFFFAOYSA-N
Formula
C12H11N5O
SMILES
COc1ccccc1Nc1ncnc2nc[nH]c12
Molecular Weight1
241.25
CAS
73663-97-5
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Physical Properties

Property Value Unit Source
ω 0.6662 Relay (1.0) Calculated Property
ΔfG° 397.85 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 219.75 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 115.16 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -3.65 Relay (1.0) Calculated Property
logPoct/wat 1.623 Crippen Calculated Property
McVol 173.030 ml/mol McGowan Calculated Property
Pc 6103.38 kPa Relay (1.0-beta) Calculated Property
Tboil 675.27 K Relay (1.0) Calculated Property
Tc 1050.42 K Relay (1.0) Calculated Property
Tfus 496.10 K Relay (1.0) Calculated Property
Vc 0.642 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3'-acetylindicine. 3'-acetylsupinine. Retroisosensine. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Benazepril Me. Retroisosenine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. risperidone. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Hydroxy-N-methylcytisine. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to Purine, 6-(o-methoxyanilino)-.

Sources

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