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| CAS No.: | 43029-19-2 |
|---|---|
| Name: | 2-AMINO-3-HYDROXYPYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C4H5N3O |
| Molecular Weight: | 111.10 |
| Synonyms: | Pyrazinol,3-amino- (6CI,7CI);3-Amino-2(1H)-pyrazinone;3-Amino-2-pyrazinol;NSC 263764; |
| Density: | 1.55 g/cm3 |
| Melting Point: | 300-301 °C |
| Boiling Point: | 538.9 °C at 760 mmHg |
| Flash Point: | 279.7 °C |
| PSA: | 72.03000 |
| LogP: | 0.34560 |
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Specification
The 2(1H)-Pyrazinone, 3-amino-, with the CAS registry number of 43029-19-2, is also known as 3-Aminopyrazin-2-ol. This chemical's molecular formula is C4H5N3O and molecular weight is 111.102. What's more, its IUPAC name is 3-Amino-1H-pyrazin-2-one.
Physical properties about 2(1H)-Pyrazinone, 3-amino- are: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 35.91 Å2; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 27.3 cm3; (13)Molar Volume: 71.5 cm3; (14)Surface Tension: 69.2 dyne/cm; (15)Density: 1.55 g/cm3; (16)Flash Point: 279.7 °C; (17)Enthalpy of Vaporization: 84.68 kJ/mol; (18)Boiling Point: 538.9 °C at 760 mmHg; (19)Vapour Pressure: 3.14E-12 mmHg at 25 °C.
Preparation: this chemical is prepared by 3-Oxo-3, 4-dihydro-pyrazine-2-carboxylic acid amide. The reaction needs reagent NaOBr. The yield is about 95 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N/C=C\N=C1\N
(2) InChI: InChI=1/C4H5N3O/c5-3-4(8)7-2-1-6-3/h1-2H,(H2,5,6)(H,7,8)
(3) InChIKey: KQLHRXQKORXSTC-UHFFFAOYAU