Chemical Properties of 1-Methyl-9-[(1e)-1-propenyl]-1,9-dihydro-6h-purin-6-one (CAS 4121-44-2)

1-Methyl-9-[(1e)-1-propenyl]-1,9-dihydro-6h-purin-6-one

InChI
InChI=1S/C9H10N4O/c1-3-4-13-6-10-7-8(13)11-5-12(2)9(7)14/h3-6H,1-2H3/b4-3+
InChI Key
GUROFOVTNBUSTG-ONEGZZNKSA-N
Formula
C9H10N4O
SMILES
CC=Cn1cnc2c(=O)n(C)cnc21
Molecular Weight1
190.20
CAS
4121-44-2
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Physical Properties

Property Value Unit Source
ω 0.5715 Relay (1.0) Calculated Property
Δf 289.79 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas 139.03 kJ/mol Relay (1.0) Calculated Property
Δvap 91.76 kJ/mol Relay (1.0) Calculated Property
IE 8.20 eV Relay (1.0) Calculated Property
log10WS -1.75 Relay (1.0) Calculated Property
logPoct/wat 0.621 Crippen Calculated Property
McVol 140.240 ml/mol McGowan Calculated Property
Pc 4001.82 kPa Relay (1.0-beta) Calculated Property
Tboil 610.65 K Relay (1.0) Calculated Property
Tc 889.79 K Relay (1.0) Calculated Property
Tfus 472.87 K Relay (1.0) Calculated Property
Vc 0.530 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]-. Uridine, 2',5'-bis-O-TBDMS. 5-methyluridine, 2',3',5'-tris(O-TMSi). 5-Methyluridine, tris(trimethylsilyl) deriv.. Uridine, 2'-O-TBDMS. Uridine, 5'-O-TBDMS. Carteolol, PFB-TMS. Thymidine, 3',5'-bis-O-TMS. Thymidine, bis(trimethylsilyl) deriv.. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, bis-TMS. Benazepril Me. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Hydrastine.

Find more compounds similar to 1-Methyl-9-[(1e)-1-propenyl]-1,9-dihydro-6h-purin-6-one.

Sources

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