Chemical Properties of Creatinine, N,N'-di(heptafluorobutyryl)-

Creatinine, N,N'-di(heptafluorobutyryl)-

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InChI
InChI=1S/C12H5F14N3O3/c1-28-2-3(30)29(5(32)8(15,16)10(19,20)12(24,25)26)6(28)27-4(31)7(13,14)9(17,18)11(21,22)23/h2H2,1H3
InChI Key
BLGWIZSZDSJYCV-UHFFFAOYSA-N
Formula
C12H5F14N3O3
SMILES
CN1CC(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C1=NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
505.16
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Physical Properties

Property Value Unit Source
ω 0.7570 Relay (... Calculated Property
ΔfG° -2682.78 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -3318.34 kJ/mol Relay (... Calculated Property
ΔvapH° 85.37 kJ/mol Relay (... Calculated Property
IE 9.60 eV Relay (... Calculated Property
log10WS -6.94 Relay (... Calculated Property
logPoct/wat 2.835 Crippen Calculated Property
McVol 224.210 ml/mol McGowan Calculated Property
Pc 1244.93 kPa Relay (... Calculated Property ⚠️
Inp 1982.00 NIST
Tboil 508.75 K Relay (... Calculated Property
Tc 700.27 K Relay (... Calculated Property
Tfus 370.82 K Relay (... Calculated Property
Vc 0.903 m3/kmol Relay (... Calculated Property

Similar Compounds

Creatinine, N,N'-di(pentafluoropropionyl)-. Creatinine, 1-pentafluoropropionyl-. Adenosine, 2'-deoxy-. xanthosine, TMS. 9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Acetyl ester of echimidine, diTMS. Echimidine, triTMS. 7-acetyl echinatine, diTMS. 7-tiglyl echinatine, diTMS. 7-angelyl echinatine, diTMS. Adenosine, 5'-S-methyl-5'-thio-. Aspartic acid-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. [(3S,4r,5s)-4-acetyloxy-5-(acetyloxymethyl)-2-(2,6-diaminopurin-9-yl)oxolan-3-yl] acetate. 9H-purine-6(1h)-thione, 1-methyl-9-beta-d-ribofuranosyl-.

Find more compounds similar to Creatinine, N,N'-di(heptafluorobutyryl)-.

Sources

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