Sigmodal
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Product Description
Product
Sigmodal
CAS
1216-40-6
Formula
C12H17BrN2O3
Synonym
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylbutyl)-; 5-(2-bromoallyl)-5-(1-methylbutyl)-1H,3H,5H-pyrimidine-2,4,6-trione; 5-(ß-Bromoallyl)-5-(1-methylbutyl)barbituric acid; Barbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)-; R 239; Recton
Typical Product Specifications
Molecular weight
317.18
SMILES
CCCC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O
InChI
1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
ZGVCLZRQOUEZHG-UHFFFAOYSA-N
Water solubility
160 mg/L
log P (octanol-water)
2.09
Vapor Pressure
8.23E-13 mm Hg
Atmospheric OH Rate Constant
3.12E-11 cm3/molecule-sec
Henry's Law Constant
1.66E-13 atm-m3/mole
Chemical Structure
Class
Sigmodal
Product Description
Product
Sigmodal
CAS
1216-40-6
Formula
C12H17BrN2O3
Synonym
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylbutyl)-; 5-(2-bromoallyl)-5-(1-methylbutyl)-1H,3H,5H-pyrimidine-2,4,6-trione; 5-(ß-Bromoallyl)-5-(1-methylbutyl)barbituric acid; Barbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)-; R 239; Recton
Typical Product Specifications
Molecular weight
317.18
SMILES
CCCC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O
InChI
1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
ZGVCLZRQOUEZHG-UHFFFAOYSA-N
Water solubility
160 mg/L
log P (octanol-water)
2.09
Vapor Pressure
8.23E-13 mm Hg
Atmospheric OH Rate Constant
3.12E-11 cm3/molecule-sec
Henry's Law Constant
1.66E-13 atm-m3/mole
Chemical Structure
Class
