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72816-89-8

Basic Information
CAS No.: 72816-89-8
Name: 6-Amino-1-benzyl-5-(n-formyl-n-methyl)uracil
Molecular Structure:
Molecular Structure of 72816-89-8 (6-Amino-1-benzyl-5-(n-formyl-n-methyl)uracil)
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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Specification

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