Chemical Properties of Ancymidol (CAS 12771-68-5)

Ancymidol

InChI
InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
InChI Key
HUTDUHSNJYTCAR-UHFFFAOYSA-N
Formula
C15H16N2O2
SMILES
COc1ccc(C(O)(c2cncnc2)C2CC2)cc1
Molecular Weight1
256.30
CAS
12771-68-5
Other Names
  • 5-Pyrimidinemethanol, «alpha»-cyclopropyl-«alpha»-(4-methoxyphenyl)-
  • 5-Pyrimidinemethanol, «alpha»-cyclopropyl-«alpha»-(p-methoxyphenyl)-
  • «alpha»-cyclopropyl-«alpha»-(4-methoxyphenyl)-5-pyrimidinemethanol
  • «alpha»-cyclopropyl-«alpha»-(4-methoxyphenyl)-5-pyrimidylmethanol
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Physical Properties

Property Value Unit Source
log10WS [-2.60; -2.60]   Show Hide
log10WS -2.60 Aq. Solubility Prediction
log10WS -2.60 Estimated Solubility
logPoct/wat 2.131 Crippen Calculated Property
McVol 195.530 ml/mol McGowan Calculated Property
Inp [2187.00; 2244.00]   Show Hide
Inp 2187.00 NIST
Inp 2244.00 NIST
Inp 2187.00 NIST
Tfus [383.65; 384.57] K Show Hide
Tfus 383.65 K Aq. Solubility Prediction
Tfus 384.57 ± 0.20 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 26.63 kJ/mol 383.10 NIST

Similar Compounds

2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Ibogaine. Epibaptifoline. Yohimbine. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Baptifoline. Argentamin. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 5,6-Dehydromultiflorine. Inabenfide, N,O-bis(tert-butyldimethylsilyl)-. Ethylmorphine. 11-EPIHEMANTHAMINE. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Norcodeine.

Find more compounds similar to Ancymidol.

Sources

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