Product Description

ProductSecobarbital
CAS76-73-3
FormulaC12H18N2O3
SynonymQuinalbarbitone, Secobarbitone, Quinalbarbital, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, Barbituric acid, 5-allyl-5-(1-methylbutyl)-, 5-Allyl-5-(1-methylbutyl)barbituric acid, 5-Allyl-5-(1-methylbutyl)malonylurea, Barbosec, Evronal, Hypotrol, Immenox, Meballymal, 2,4,6(1H,3H,5H)-Pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-, Seconal, 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, (.+/-.))-Secobarbital, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-, Imesonal, Immenoctal, Trisomnin, Hyptran, 5-(1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione (secobarbital), SECOBARBITAL, QUINALBARBITONE, 5-ALLYL-5-[1-METHYLBUTYL]BARBITURIC ACID, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, 2,4,6(1H,3H,5H)-Pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-, 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-allyl-5-(1-methylbutyl)barbiturate, 5-allyl-5-(1-methylbutyl)-barbituricaci

Typical Product Specifications

Molecular weight238.28
EINECS200-982-2
SMILESC1(C(NC(=O)NC1=O)=O)([C@@H](CCC)C)CC=C
InChI1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
log P (octanol-water)1.97
pKa Dissociation Constant7.8
Atmospheric OH Rate Constant4.41E-11 cm3/molecule-sec
Henry's Law Constant8.35E-13 atm-m3/mole
Vapor Pressure3.36E-10 mm Hg
Melting Point100 ° C
Water solubility550 mg/L
ClassAmines
FunctionIntermediates
IndustryPharmaceutical
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