Chemical Properties of 9H-Purine-9-acetic acid, 6-[(p-chlorophenyl)amino)-, ethyl ester (CAS 101103-22-4)

9H-Purine-9-acetic acid, 6-[(p-chlorophenyl)amino)-, ethyl ester

InChI
InChI=1S/C15H14ClN5O2/c1-2-23-12(22)7-21-9-19-13-14(17-8-18-15(13)21)20-11-5-3-10(16)4-6-11/h3-6,8-9H,2,7H2,1H3,(H,17,18,20)
InChI Key
GRZHGZVUENNXNQ-UHFFFAOYSA-N
Formula
C15H14ClN5O2
SMILES
CCOC(=O)Cn1cnc2c(Nc3ccc(Cl)cc3)ncnc21
Molecular Weight1
331.76
CAS
101103-22-4
Other Names
  • Ethyl 9-[6-p-chloroanilino]purineacetate
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Physical Properties

Property Value Unit Source
ω 0.7970 Relay (1.0) Calculated Property
ΔfG° 262.13 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -68.30 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.05 kJ/mol Relay (1.0) Calculated Property
IE 7.68 eV Relay (1.0) Calculated Property
log10WS -4.77 Relay (1.0) Calculated Property
logPoct/wat 2.786 Crippen Calculated Property
McVol 229.110 ml/mol McGowan Calculated Property
Pc 3818.36 kPa Relay (1.0-beta) Calculated Property
Tboil 708.53 K Relay (1.0) Calculated Property
Tc 1064.02 K Relay (1.0) Calculated Property
Tfus 464.34 K Relay (1.0) Calculated Property
Vc 0.839 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Hydroxy-N-methylcytisine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Benzquinamide M (N-des-Et), acetylated. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 9H-Purine-9-acetic acid, 6-[(p-chlorophenyl)amino)-, ethyl ester.

Sources

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