Chemical Properties of 9H-purine, 2-amino-6-(butylamino)- (CAS 5437-50-3)

9H-purine, 2-amino-6-(butylamino)-

InChI
InChI=1S/C9H14N6/c1-2-3-4-11-7-6-8(13-5-12-6)15-9(10)14-7/h5H,2-4H2,1H3,(H4,10,11,12,13,14,15)
InChI Key
REMXDSRYVGKQHF-UHFFFAOYSA-N
Formula
C9H14N6
SMILES
CCCCNc1nc(N)nc2[nH]cnc12
Molecular Weight1
206.25
CAS
5437-50-3
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Physical Properties

Property Value Unit Source
ω 0.7410 Relay (1.0) Calculated Property
ΔfG° 431.55 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 122.15 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.84 kJ/mol Relay (1.0) Calculated Property
IE 8.00 eV Relay (1.0) Calculated Property
log10WS -4.38 Relay (1.0) Calculated Property
logPoct/wat 0.665 Crippen Calculated Property
McVol 158.630 ml/mol McGowan Calculated Property
Pc 3948.15 kPa Relay (1.0-beta) Calculated Property
Tboil 625.53 K Relay (1.0) Calculated Property
Tc 961.06 K Relay (1.0) Calculated Property
Tfus 492.38 K Relay (1.0) Calculated Property
Vc 0.593 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adenine, n-butyl-. Purine, 2-butylamino-6-methylamino. Purine, 6-butylamino-2-methylthio-. Purine, 2-(n-butylamino)-6-(dimethylamino)-. [2H3]Dihydrozeatin nucleotide, permethylated. Adenosine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate). 5-Hydroxytryptophan, methyl, 3-PFP. Cytidine, dimethyl-TMS derivative. 7-acetyl-9-curassavoylheliotridine. 3'-acetylsupinine. 3'-acetylindicine. Heliotrine (7S). Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). xanthosine-5'-monophosphate, TMS.

Find more compounds similar to 9H-purine, 2-amino-6-(butylamino)-.

Sources

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