Secobarbital
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Product Description
Product
Secobarbital
CAS
76-73-3
Formula
C12H18N2O3
Synonym
SECOBARBITAL; Secobarbitone; Seconal; Trisomnin; (.+/-.))-Secobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-; 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-(1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione (secobarbital); 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-allyl-5-(1-methylbutyl)barbiturate; 5-Allyl-5-(1-methylbutyl)barbituric acid; 5-allyl-5-(1-methylbutyl)-barbituricaci; 5-Allyl-5-(1-methylbutyl)malonylurea; 5-ALLYL-5-[1-METHYLBUTYL]BARBITURIC ACID; Barbituric acid, 5-allyl-5-(1-methylbutyl)-; Barbosec; Evronal; Hypotrol; Hyptran; Imesonal; Immenoctal; Immenox; Meballymal; Quinalbarbital; QUINALBARBITONE
Typical Product Specifications
Molecular weight
238.28
EINECS
200-982-2
SMILES
C1(C(NC(=O)NC1=O)=O)([C@@H](CCC)C)CC=C
InChI
1S/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)
InChIKey
KQPKPCNLIDLUMF-UHFFFAOYSA-N
log P (octanol-water)
1.97
pKa Dissociation Constant
7.8
Atmospheric OH Rate Constant
4.41E-11 cm3/molecule-sec
Henry's Law Constant
8.35E-13 atm-m3/mole
Vapor Pressure
3.36E-10 mm Hg
Melting Point
100 ° C
Water solubility
550 mg/L
Class
Industry
Functions
Secobarbital
Product Description
Product
Secobarbital
CAS
76-73-3
Formula
C12H18N2O3
Synonym
SECOBARBITAL; Secobarbitone; Seconal; Trisomnin; (.+/-.))-Secobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-; 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-(1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione (secobarbital); 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-allyl-5-(1-methylbutyl)barbiturate; 5-Allyl-5-(1-methylbutyl)barbituric acid; 5-allyl-5-(1-methylbutyl)-barbituricaci; 5-Allyl-5-(1-methylbutyl)malonylurea; 5-ALLYL-5-[1-METHYLBUTYL]BARBITURIC ACID; Barbituric acid, 5-allyl-5-(1-methylbutyl)-; Barbosec; Evronal; Hypotrol; Hyptran; Imesonal; Immenoctal; Immenox; Meballymal; Quinalbarbital; QUINALBARBITONE
Typical Product Specifications
Molecular weight
238.28
EINECS
200-982-2
SMILES
C1(C(NC(=O)NC1=O)=O)([C@@H](CCC)C)CC=C
InChI
1S/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)
InChIKey
KQPKPCNLIDLUMF-UHFFFAOYSA-N
log P (octanol-water)
1.97
pKa Dissociation Constant
7.8
Atmospheric OH Rate Constant
4.41E-11 cm3/molecule-sec
Henry's Law Constant
8.35E-13 atm-m3/mole
Vapor Pressure
3.36E-10 mm Hg
Melting Point
100 ° C
Water solubility
550 mg/L
Class
Industry
Functions
