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6-Amino-1-isobutyl-3-methyl-5-nitrosouracil

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Name

6-Amino-1-isobutyl-3-methyl-5-nitrosouracil

EINECS 258-937-8
CAS No. 54052-67-4 Density 1.4 g/cm3
PSA 99.45000 LogP 0.76430
Solubility N/A Melting Point 217-220 °C
Formula C9H14N4O3 Boiling Point 286.5 °C at 760 mmHg
Molecular Weight 226.235 Flash Point 127.1 °C
Transport Information N/A Appearance Purple Crystals
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54052-67-4 (6-amino-1-isobutyl-3-methyl-5-nitrosouracil) Hazard Symbols N/A
Synonyms

1-Isobutyl-3-methyl-5-nitroso-6-aminouracil;NSC 677521;

Article Data 3

6-Amino-1-isobutyl-3-methyl-5-nitrosouracil Specification

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.

6-Amino-1-isobutyl-3-methyl-5-nitrosouracil can be used to produce 3-methyl-1-isobutyl-5,6-diaminouracil

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

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