Chemical Properties of Methylphenobarbital, M(HO-), AC

Methylphenobarbital, M(HO-), AC

InChI
InChI=1S/C15H16N2O5/c1-4-15(12(19)16-14(21)17(3)13(15)20)10-5-7-11(8-6-10)22-9(2)18/h5-8H,4H2,1-3H3,(H,16,19,21)
InChI Key
OCXSXUHYEJHCKD-UHFFFAOYSA-N
Formula
C15H16N2O5
SMILES
CCC1(c2ccc(OC(C)=O)cc2)C(=O)NC(=O)N(C)C1=O
Molecular Weight1
304.30
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Physical Properties

Property Value Unit Source
ω 0.7630 Relay (1.0) Calculated Property
ΔfG° -373.05 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -801.84 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.05 kJ/mol Relay (1.0) Calculated Property
IE 8.39 eV Relay (1.0) Calculated Property
log10WS -2.84 Relay (1.0) Calculated Property
logPoct/wat 0.968 Crippen Calculated Property
McVol 219.700 ml/mol McGowan Calculated Property
Pc 1934.16 kPa Relay (1.0-beta) Calculated Property
Inp 2330.00 NIST
Tboil 637.95 K Relay (1.0) Calculated Property
Tc 930.51 K Relay (1.0) Calculated Property
Tfus 466.34 K Relay (1.0) Calculated Property
Vc 0.772 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Mephobarbital. 5-Ethyl-5-(4-acetoxyphenyl)-hexahydropyrimidin-2,4,6-trione. Mephobarbital M (OH). 1-N-butyl-phenobarbital. Emetine. Mephenytoin, M (HO-methoxy-), AC. Yohimbine. Ibogaine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Retroisosenine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Zinc octaethylporphyrin chloride.

Find more compounds similar to Methylphenobarbital, M(HO-), AC.

Sources

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