Chemical Properties of Lenacil (CAS 2164-08-1)

Lenacil

InChI
InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
InChI Key
ZTMKADLOSYKWCA-UHFFFAOYSA-N
Formula
C13H18N2O2
SMILES
O=c1c2c(nc(O)n1C1CCCCC1)CCC2
Molecular Weight1
234.29
CAS
2164-08-1
Other Names
  • 1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 3-cyclohexyl-6,7-dihydro-
  • 1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-3-cyclohexyl-
  • 3-Cyclohexyl-1,5,6,7-tetrahydo-2H-cyclopentapyrimidine-2,4(3H)-dione
  • 3-Cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione
  • 3-Cyclohexyl-5,6-trimethyleneuracil
  • 3-Cyclohexyl-5,6-trimethylenuracil
  • 3-Cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4-(3H,5H)-dione
  • Adol
  • Adol (pesticide)
  • Buracyl
  • Du Pont 634
  • Elbatan
  • Experimental Herbicide 634
  • Herbicide 634
  • Hexilure
  • Lenacile
  • Uracil 634
  • Venzar
  • Vizor
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Physical Properties

Property Value Unit Source
ω 0.7357 Relay (1.0) Calculated Property
ΔfG° 87.95 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -384.16 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.40 kJ/mol Relay (1.0) Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
log10WS [-4.59; -4.59]   Show Hide
log10WS -4.59 Aq. Solubility Prediction
log10WS -4.59 Estimated Solubility
logPoct/wat 1.943 Crippen Calculated Property
McVol 180.250 ml/mol McGowan Calculated Property
Pc 2968.51 kPa Relay (1.0-beta) Calculated Property
Inp [2276.00; 2359.00]   Show Hide
Inp 2276.00 NIST
Inp 2359.00 NIST
Tboil 625.83 K Relay (1.0) Calculated Property
Tc 928.11 K Relay (1.0) Calculated Property
Tfus 584.55 ± 0.20 K NIST
Vc 0.677 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 42.31 kJ/mol 584.30 NIST

Similar Compounds

Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. 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.

Find more compounds similar to Lenacil.

Sources

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