Talbutal
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Product Description
Product
Talbutal
CAS
115-44-6
Formula
C11H16N2O3
Synonym
Talbutal; Butalbital; EINECS 204-090-4; HSDB 3397; Latusate; Lotusate; Profundol; sec-Butyl allyl barbituric acid; Superlist Names DEA No. 2100; Talbumalum; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylpropyl)-5-(2-propenyl)-; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methypropyl)-5-(2-propenyl)-; 5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-(1-methylpropyl) barbituric acid; 5-Allyl-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-sec-butylbarbituric acid; 5-Isobutyl-5-allylbarbituric acid; Barbituric acid, 5-allyl-5-sec-butyl-; Talbutale; Talbutale [DCIT]; Talbutalum; Talbutalum [INN-Latin]; UNII-4YIR8202AX; WIN 5095
Typical Product Specifications
Molecular weight
224.26
SMILES
CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
InChI
1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
BJVVMKUXKQHWJK-UHFFFAOYSA-N
Henry's Law Constant
6.29E-13 atm-m3/mole
Melting Point
109 ° C
Vapor Pressure
2.31E-11 mm Hg
Atmospheric OH Rate Constant
4.27E-11 cm3/molecule-sec
pKa Dissociation Constant
7.79
log P (octanol-water)
1.47
Water solubility
1810 mg/L
Class
Talbutal
Product Description
Product
Talbutal
CAS
115-44-6
Formula
C11H16N2O3
Synonym
Talbutal; Butalbital; EINECS 204-090-4; HSDB 3397; Latusate; Lotusate; Profundol; sec-Butyl allyl barbituric acid; Superlist Names DEA No. 2100; Talbumalum; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylpropyl)-5-(2-propenyl)-; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methypropyl)-5-(2-propenyl)-; 5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-(1-methylpropyl) barbituric acid; 5-Allyl-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-sec-butylbarbituric acid; 5-Isobutyl-5-allylbarbituric acid; Barbituric acid, 5-allyl-5-sec-butyl-; Talbutale; Talbutale [DCIT]; Talbutalum; Talbutalum [INN-Latin]; UNII-4YIR8202AX; WIN 5095
Typical Product Specifications
Molecular weight
224.26
SMILES
CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
InChI
1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
BJVVMKUXKQHWJK-UHFFFAOYSA-N
Henry's Law Constant
6.29E-13 atm-m3/mole
Melting Point
109 ° C
Vapor Pressure
2.31E-11 mm Hg
Atmospheric OH Rate Constant
4.27E-11 cm3/molecule-sec
pKa Dissociation Constant
7.79
log P (octanol-water)
1.47
Water solubility
1810 mg/L
Class
