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| CAS No.: | 173850-43-6 |
|---|---|
| Name: | C-ISOXAZOL-4-YL-METHYLAMINE HYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C4H6N2O |
| Molecular Weight: | 134.56 |
| Synonyms: | C-ISOXAZOL-4-YL-METHYLAMINE HYDROCHLORIDE;ISOXAZOL-4-YLMETHANAMINE;ISOXAZOL-4-YLMETHANAMINE HYDROCHLORIDE;ISOXAZOL-4-YLMETHYLAMINE HCL;4-ISOXAZOLEMETHANAMINE;4-aminomethylisoxazole;C-Isoxazol-4-yl-methylamine oxalate;C-Isoxazol-4-yl-methylamine |
| Density: | 1.148 g/cm3 |
| Boiling Point: | 206.994 °C at 760 mmHg |
| Flash Point: | 78.988 °C |
| PSA: | 52.05000 |
| LogP: | 1.63560 |
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- Total:13 Page 1 of 1 1
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Specification
The 4-Isoxazolemethanamine, with the CAS registry number 173850-43-6, is also known as 1-isoxazol-4-ylmethanamine. Its molecular formula is C4H6N2O and its molecular weight is 134.56. Additionally, its systematic name is 1-(1,2-oxazol-4-yl)methanamine.
Other characteristics of the 4-Isoxazolemethanamine can be summarised as followings: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.05 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 25.095 cm3; (15)Molar Volume: 85.44 cm3; (16)Polarizability: 9.949×10-24cm3; (17)Surface Tension: 44.964 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 78.988 °C; (20)Enthalpy of Vaporization: 44.324 kJ/mol; (21)Boiling Point: 206.994 °C at 760 mmHg; (22)Vapour Pressure: 0.231 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1occ(c1)CN
2.InChI: InChI=1/C4H6N2O/c5-1-4-2-6-7-3-4/h2-3H,1,5H2
3.InChIKey: XETGVWXXGWZBDG-UHFFFAOYAD