Chemical Properties of Hexobarbital (CAS 56-29-1)

Hexobarbital

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InChI
InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChI Key
UYXAWHWODHRRMR-UHFFFAOYSA-N
Formula
C12H16N2O3
SMILES
CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O
Molecular Weight1
236.27
CAS
56-29-1
Other Names
  • 1,5-Dimethyl-5-(1-cyclohexenyl)barbituric acid
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-
  • 5-(1-Cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(1-Cyclohexen-1-yl)-1,5-dimethylbarbituric acid
  • 5-(1-Cyclohexenyl-1)-1-methyl-5-methylbarbituric acid
  • 5-(Cyclohexen-1-yl)-1,5-dimethylbarbituric acid
  • 5-(Cyclohexen-1-yl)-1,5-dimethylbarbitursaeure
  • 5-(«delta»-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure
  • 5-(«delta»-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure
  • Barbidorm
  • Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-
  • Citodon
  • Citopan
  • Cyclonal
  • Cyclopan
  • Dorico
  • Enhexymal
  • Esobarbitale
  • Evipal
  • Evipan
  • Hexabarbital
  • Hexanastab oral
  • Hexenal
  • Hexenal (barbiturate)
  • Hexobarbitone
  • Methexenyl
  • Methylhexabarbital
  • Methylhexabital
  • N-Methyl-5-cyclohexenyl-5-methylbarbituric acid
  • NSC 71929
  • Narcosan
  • Noctivane
  • Sombucaps
  • Sombulex
  • Somnalert
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Physical Properties

Property Value Unit Source
log10WS -2.67 Aq. Sol...
logPoct/wat 1.201 Crippen Calculated Property
McVol 178.590 ml/mol McGowan Calculated Property
Inp [1817.00; 1904.30]   Show Hide
Inp 1860.00 NIST
Inp 1855.00 NIST
Inp 1860.00 NIST
Inp 1860.00 NIST
Inp 1870.00 NIST
Inp 1855.00 NIST
Inp 1843.00 NIST
Inp 1841.00 NIST
Inp 1870.00 NIST
Inp 1870.00 NIST
Inp 1870.00 NIST
Inp Outlier 1904.30 NIST
Inp 1862.00 NIST
Inp Outlier 1817.00 NIST
Inp 1831.00 NIST
Inp 1831.00 NIST
Inp 1850.00 NIST
Inp 1840.00 NIST
Inp 1853.00 NIST
Inp 1860.00 NIST
Inp Outlier 1820.00 NIST
Inp 1839.00 NIST
Inp 1860.00 NIST
Inp 1845.00 NIST
Inp 1850.00 NIST
Inp 1850.00 NIST
Inp 1857.00 NIST
Inp 1851.00 NIST
Inp 1850.00 NIST
Inp 1840.00 NIST
Inp 1870.00 NIST
Inp 1857.00 NIST
Inp 1860.00 NIST
Tfus [365.48; 418.00] K Show Hide
Tfus 365.48 K Aq. Sol...
Tfus 418.00 ± 4.00 K NIST

Similar Compounds

Heptabarbital monomethylated. 3,5-Dimethyl-5-(3-oxocyclohex-1-enyl)-hexahydropyrimidin-2,4,6-trione. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-. Cyclobarbital. Heptabarbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-. Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-1,3-dimethyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1-ethyl-3,5-dimethyl-. 5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione. Hexobarbital perbutylated. Hexobarbital M (OH, -H2O). Heptabarbital, 1,3-dibutyl. Reposal. Barbituric acid, 5-bicyclo(3.2.1)oct-2-en-3-yl-5-ethyl-. Cyclobarbital M (OH, -H2O).

Find more compounds similar to Hexobarbital.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.