2,4(1H,3H)-Pyrimidinedione,5-methyl-1-propyl- supplier

Name
1-PROPYLTHYMINE
EINECS
CAS No. 22919-49-9
Article Data3
CAS DataBase
Density 1.107 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂O₂
Boiling Point
Molecular Weight 168.195
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propylthymine;Thymine,1-propyl- (6CI,8CI);
PSA 54.86000
LogP 0.25500

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-propyl- Specification

The 2,4(1H,3H)-Pyrimidinedione,5-methyl-1-propyl-, with the CAS registry number 22919-49-9, is also known as 1-Propylthymine. This chemical's molecular formula is C₈H₁₂N₂O₂ and molecular weight is 168.1931. Its systematic name is called 5-methyl-1-propylpyrimidine-2,4(1H,3H)-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-methyl-1-propyl-: (1)ACD/LogP: 0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 42; (5)ACD/KOC (pH 7.4): 42; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.49; (10)Molar Refractivity: 43.89 cm³; (11)Molar Volume: 151.901 cm³; (12)Surface Tension: 35.058 dyne/cm; (13)Density: 1.107 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCN1/C=C(/C)C(=O)NC1=O
(2)InChI: InChI=1/C8H12N2O2/c1-3-4-10-5-6(2)7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12)
(3)InChIKey: NIZKHFVKEVLTSD-UHFFFAOYAQ

Product Name

1-PROPYLTHYMINE

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-propyl- Specification

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