Chemical Properties of 6-Benzylaminopurine, N-heptafluorobutyryl-

6-Benzylaminopurine, N-heptafluorobutyryl-

InChI
InChI=1S/C16H10F7N5O/c17-14(18,15(19,20)16(21,22)23)13(29)28(6-9-4-2-1-3-5-9)12-10-11(25-7-24-10)26-8-27-12/h1-5,7-8H,6H2,(H,24,25,26,27)
InChI Key
FZAPIODDYRMZKS-UHFFFAOYSA-N
Formula
C16H10F7N5O
SMILES
O=C(N(Cc1ccccc1)c1ncnc2nc[nH]c12)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
421.27
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Physical Properties

Property Value Unit Source
ω 0.7340 Relay (1.0) Calculated Property
ΔfG° -972.81 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1257.89 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.35 kJ/mol Relay (1.0) Calculated Property
IE 9.06 eV Relay (1.0) Calculated Property
log10WS -5.71 Relay (1.0) Calculated Property
logPoct/wat 3.237 Crippen Calculated Property
McVol 237.480 ml/mol McGowan Calculated Property
Pc 1727.03 kPa Relay (1.0-beta) Calculated Property
Inp 2469.00 NIST
Tboil 655.89 K Relay (1.0) Calculated Property
Tc 949.89 K Relay (1.0) Calculated Property
Tfus 374.22 K Relay (1.0) Calculated Property
Vc 0.881 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

6-Benzylaminopurine, N-pentafluoropropionyl-. 6-Benzylaminopurine, N-trifluoroacetyl-. Sophoramine. Tinctorine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to 6-Benzylaminopurine, N-heptafluorobutyryl-.

Sources

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