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| CAS No.: | 14678-05-8 |
|---|---|
| Name: | isoxazol-5-amine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C3H4N2O |
| Molecular Weight: | 84.0776 |
| Synonyms: | 5-Aminoisoxazole;5-Isoxazolamine; |
| EINECS: | 238-720-4 |
| Density: | 1.241 g/cm3 |
| Melting Point: | 75-77 °C |
| Boiling Point: | 234.652 °C at 760 mmHg |
| Flash Point: | 95.714 °C |
| PSA: | 52.05000 |
| LogP: | 0.83800 |
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Specification
This chemical is called 5-Isoxazolamine, and it can also be named as Isoxazol-5-amine. With the molecular formula of C3H4N2O, its molecular weight is 84.08. The CAS registry number of this chemical is 14678-05-8. Additionally, its product category is Isoxazole.
Other characteristics of the 5-Isoxazolamine can be summarised as followings: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.22; (8)ACD/KOC (pH 7.4): 13.22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.27 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 20.87 cm3; (15)Molar Volume: 67.7 cm3; (16)Polarizability: 8.27×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 95.7 °C; (20)Enthalpy of Vaporization: 47.14 kJ/mol; (21)Boiling Point: 234.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0523 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1oc(N)cc1
2.InChI: InChI=1/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2
3.InChIKey: IAXWZYXUKABJAN-UHFFFAOYAT