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CAS No.: | 737690-96-9 |
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Name: | (5-(Pyridin-3-yl)-1,3,4-oxadiazol-2-yl)methanamine |
Molecular Structure: | |
Formula: | C8H8N4O |
Molecular Weight: | 176.18 |
Synonyms: | (5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanamine; |
Density: | 1.284 g/cm3 |
Boiling Point: | 360.792 °C at 760 mmHg |
Flash Point: | 172.001 °C |
PSA: | 77.83000 |
LogP: | 1.29060 |
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The (5-(Pyridin-3-yl)-1,3,4-oxadiazol-2-yl)methanamine is an organic compound with the formula C8H8N4O. The IUPAC name of this chemical is (5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanamine. The CAS registry number of this chemical is 737690-96-9. Besides, its molecular weight is 176.18.
The physical properties of (5-(Pyridin-3-yl)-1,3,4-oxadiazol-2-yl)methanamine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1.632; (4)ACD/KOC (pH 7.4): 8.266; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 77.83 Å2; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 45.87 cm3; (11)Molar Volume: 137.172 cm3; (12)Polarizability: 18.184×10-24 cm3; (13)Surface Tension: 60.712 dyne/cm; (14)Density: 1.284 g/cm3; (15)Flash Point: 172.001 °C; (16)Enthalpy of Vaporization: 60.655 kJ/mol; (17)Boiling Point: 360.792 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cnc1)c2nnc(o2)CN
(2)InChI: InChI=1/C8H8N4O/c9-4-7-11-12-8(13-7)6-2-1-3-10-5-6/h1-3,5H,4,9H2
(3)InChIKey: SHTZAGGECCECIA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8N4O/c9-4-7-11-12-8(13-7)6-2-1-3-10-5-6/h1-3,5H,4,9H2
(5)Std. InChIKey: SHTZAGGECCECIA-UHFFFAOYSA-N