Chemical Properties of N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine N2,N4,N6-tris(trifluoroacetate)

N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine N2,N4,N6-tris(trifluoroacetate)

InChI
InChI=1S/C12H7F9N6O3/c13-10(14,15)4(28)22-7-24-8(23-5(29)11(16,17)18)26-9(25-7)27(3-1-2-3)6(30)12(19,20)21/h3H,1-2H2,(H2,22,23,24,25,26,28,29)
InChI Key
GBRJOJLXTAZOIS-UHFFFAOYSA-N
Formula
C12H7F9N6O3
SMILES
O=C(Nc1nc(NC(=O)C(F)(F)F)nc(N(C(=O)C(F)(F)F)C2CC2)n1)C(F)(F)F
Molecular Weight1
454.21
Other Names
  • 1,3,5-Triazine-2,4,6-triamine, N2-cyclopropyl-N2,N4,N6-tris-trifluoroacetyl-
  • 2,4,6-Tris-trifluoroacetylamino-6-(cyclopropylamino)-s-triazine
  • 2-Cyclopropylamino-2,4,6-tris-trifluoroacetylamino-s-triazine
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Physical Properties

Property Value Unit Source
ω 0.7977 Relay (1.0) Calculated Property
ΔfG° -1389.98 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -2176.95 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 116.97 kJ/mol Relay (1.0) Calculated Property
IE 9.62 eV Relay (1.0) Calculated Property
log10WS -6.31 Relay (1.0) Calculated Property
logPoct/wat 1.931 Crippen Calculated Property
McVol 225.840 ml/mol McGowan Calculated Property
Pc 1584.19 kPa Relay (1.0-beta) Calculated Property
Inp 1673.00 NIST
Tboil 527.57 K Relay (1.0) Calculated Property
Tc 867.08 K Relay (1.0) Calculated Property
Tfus 465.87 K Relay (1.0) Calculated Property
Vc 0.870 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

N-tert-Butyl-N-trifluoroacetyl-N'-trifluoroacetyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine. N-tert-Butyl-N'-acetyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine. N-(1,2-Dimethylpropyl)-N,N'-bis(trifluoroacetyl)-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine. N-(1,2-Dimethylpropyl)-N,N'-bis(pentafluoropropionyl)-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine. N-(1,2-Dimethylpropyl)-N,N-bis(heptafluorobutyryl)-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine. N-Isopropyl-N'-methyl-N,N'-bis(trifluoroacetyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine. N-tert-Butyl-N,N'-bis(trifluoroacetyl)-6-methoxy-1,3,5-triazine-2,4-diamine. 4-(tert-Butylamino)-6-ethyl-6-trifluoroacetylamino-5H-1,3,5-triazin-2-one. Thioridazine M (oxo-). 3'-acetylsupinine. 5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine. 3'-acetylindicine. DILTIAZEM, M(DESAMINO-HO-), AC. DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5-dimethyl-7,7-pentamethylene.

Find more compounds similar to N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine N2,N4,N6-tris(trifluoroacetate).

Sources

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