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CAS No.: | 22919-49-9 |
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Name: | 1-PROPYLTHYMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H12N2O2 |
Molecular Weight: | 168.195 |
Synonyms: | 1-Propylthymine;Thymine,1-propyl- (6CI,8CI); |
Density: | 1.107 g/cm3 |
PSA: | 54.86000 |
LogP: | 0.25500 |
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