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CAS No.: | 54052-67-4 |
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Name: | 6-amino-1-isobutyl-3-methyl-5-nitrosouracil |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H14N4O3 |
Molecular Weight: | 226.235 |
Synonyms: | 1-Isobutyl-3-methyl-5-nitroso-6-aminouracil;NSC 677521; |
EINECS: | 258-937-8 |
Density: | 1.4 g/cm3 |
Melting Point: | 217-220 °C |
Boiling Point: | 286.5 °C at 760 mmHg |
Flash Point: | 127.1 °C |
Appearance: | Purple Crystals |
PSA: | 99.45000 |
LogP: | 0.76430 |
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The 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil, with the CAS registry number 54052-67-4, is also known as NSC677521. It belongs to the product categories of Miscellaneous Reagents; Synthetic Intermediates. Its EINECS registry number is 258-937-8. This chemical's molecular formula is C9H14N4O3. Its IUPAC name is called 6-amino-3-methyl-1-(2-methylpropyl)-5-nitrosopyrimidine-2,4-dione. What's more, this chemical can be used as a useful synthetic intermediate.
Physical properties of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.47; (4)ACD/BCF (pH 5.5): 7.69; (5)ACD/BCF (pH 7.4): 7.69; (6)ACD/KOC (pH 5.5): 149.88; (7)ACD/KOC (pH 7.4): 149.88; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 56.35 cm3; (13)Molar Volume: 161.3 cm3; (14)Surface Tension: 53.6 dyne/cm; (15)Density: 1.4 g/cm3; (16)Flash Point: 127.1 °C; (17)Enthalpy of Vaporization: 52.57 kJ/mol; (18)Boiling Point: 286.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00262 mmHg at 25°C.
Uses of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil: it can be used to produce 3-methyl-1-isobutyl-5,6-diaminouracil at temperature of 20 - 50 °C. This reaction will need reagents Na2S2O4 and 25percent aq. NH4OH.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CN1C(=C(C(=O)N(C1=O)C)N=O)N
(2)InChI: InChI=1S/C9H14N4O3/c1-5(2)4-13-7(10)6(11-16)8(14)12(3)9(13)15/h5H,4,10H2,1-3H3
(3)InChIKey: PXWGPZUKJUEITG-UHFFFAOYSA-N