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58481-39-3

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Basic Information
CAS No.: 58481-39-3
Name: 1-Methyl-3-isobutyl-4-aminouracil
Article Data: 2
Molecular Structure:
Molecular Structure of 58481-39-3 (1-Methyl-3-isobutyl-4-aminouracil)
Formula: C9H15N3O2
Molecular Weight: 197.237
Synonyms: 1-Isobutyl-3-methyl-6-aminouracil;NSC 70483;6-Amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione;
Density: 1.15 g/cm3
Melting Point: 146-148°C
Boiling Point: 285.5 °C at 760 mmHg
Flash Point: 126.4 °C
PSA: 70.02000
LogP: 0.36640
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Specification

The CAS registry number of 2,4(1H,3H)-Pyrimidinedione,6-amino-3-methyl-1-(2-methylpropyl)- is 58481-39-3. The IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione. In addition, the molecular formula is C9H15N3O2 and the molecular weight is 197.23. What's more, it should be stored in a cool and dry place.

Physical properties about 2,4(1H,3H)-Pyrimidinedione,6-amino-3-methyl-1-(2-methylpropyl)- are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 43.86 Å2; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 52.25 cm3; (9)Molar Volume: 171.3 cm3; (10)Polarizability: 20.71 ×10-24cm3; (11)Surface Tension: 41.6 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 126.4 °C; (14)Enthalpy of Vaporization: 52.45 kJ/mol; (15)Boiling Point: 285.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0028 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(/C(=C\C(=O)N1C)N)CC(C)C
(2)InChI: InChI=1/C9H15N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4,6H,5,10H2,1-3H3
(3)InChIKey: LWFXPSLZADQSSL-UHFFFAOYAB