Chemical Properties of Hypoxanthine, 1-butyl- (CAS 40067-44-5)

Hypoxanthine, 1-butyl-

InChI
InChI=1S/C9H12N4O/c1-2-3-4-13-6-12-8-7(9(13)14)10-5-11-8/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key
BNUMIKQQOKMWQA-UHFFFAOYSA-N
Formula
C9H12N4O
SMILES
CCCCn1cnc2[nH]cnc2c1=O
Molecular Weight1
192.22
CAS
40067-44-5
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Physical Properties

Property Value Unit Source
ω 0.6416 Relay (1.0) Calculated Property
ΔfG° 236.96 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 12.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 93.51 kJ/mol Relay (1.0) Calculated Property
IE 8.79 eV Relay (1.0) Calculated Property
log10WS -2.76 Relay (1.0) Calculated Property
logPoct/wat 0.438 Crippen Calculated Property
McVol 144.540 ml/mol McGowan Calculated Property
Pc 3450.74 kPa Relay (1.0-beta) Calculated Property
Tboil 626.08 K Relay (1.0) Calculated Property
Tc 883.96 K Relay (1.0) Calculated Property
Tfus 484.72 K Relay (1.0) Calculated Property
Vc 0.562 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9H-purine-6(1h)-thione, 1-[3-(p-tolylthio)propyl]-. Hypoxanthine, 1-benzyl-9-cyclopentyl-. 1-Butyltheobromine. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 2'-Deoxyinosine, tris(trimethylsilyl) derivative. Guanine, 9-butyl-. 9H-purine-6(1h)-thione, 1-methyl-9-beta-d-ribofuranosyl-. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Thymine riboside, TMS. 2'-Deoxyinosine, tris(tert-butyldimethylsilyl) derivative. Inosine, 2',3',5'-tribenzoate. 2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. 2'-Deoxyadenosine, 3'-O-acetyl, 5'-O-TBDMS. 2',3'-Di-O-acetyladenosine, trimethylsilyl ether.

Find more compounds similar to Hypoxanthine, 1-butyl-.

Sources

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