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CAS No.: | 72816-89-8 |
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Name: | 6-Amino-1-benzyl-5-(n-formyl-n-methyl)uracil |
Molecular Structure: | |
Formula: | C13H14N4O3 |
Molecular Weight: | 274.28 |
Synonyms: | N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylformamide;Formamide, N-[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methyl-; |
Density: | 1.4 g/cm3 |
Appearance: | White solid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 101.45000 |
LogP: | 1.38910 |
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The 6-Amino-1-benzyl-5-(n-formyl-n-methyl)uracil with CAS registry number of 72816-89-8 is also known as Formamide, N-[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methyl-. The systematic name is N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylformamide. It belongs to product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. In addition, the formula is C13H14N4O3 and the molecular weight is 274.28. Besides, it is a white solid.
Physical properties about 6-Amino-1-benzyl-5-(n-formyl-n-methyl)uracil are: (1)ACD/LogP: -0.96; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.05; (5)ACD/KOC (pH 7.4): 7.06; (6)#H bond acceptors: 7; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.662; (10)Molar Refractivity: 72.19 cm3; (11)Molar Volume: 194.9 cm3; (12)Surface Tension: 70.3 dyne/cm; (13)Density: 1.4 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: O=CN(C\1=C(/N)N(C(=O)NC/1=O)Cc2ccccc2)C
2. InChI: InChI=1/C13H14N4O3/c1-16(8-18)10-11(14)17(13(20)15-12(10)19)7-9-5-3-2-4-6-9/h2-6,8H,7,14H2,1H3,(H,15,19,20)
3. InChIKey: RROCKYIJCHUZTH-UHFFFAOYAY
4. Std. InChI: InChI=1S/C13H14N4O3/c1-16(8-18)10-11(14)17(13(20)15-12(10)19)7-9-5-3-2-4-6-9/h2-6,8H,7,14H2,1H3,(H,15,19,20)
5. Std. InChIKey: RROCKYIJCHUZTH-UHFFFAOYSA-N