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757175-70-5

Basic Information
CAS No.: 757175-70-5
Name: 4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-piperidine
Molecular Structure:
Molecular Structure of 757175-70-5 (4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-piperidine)
Formula: C8H13N3O
Molecular Weight: 167.211
Synonyms: 5-Methyl-3-(4-piperidyl)-1,2,4-oxadiazole;
Density: 1.099 g/cm3
Boiling Point: 296.525 °C at 760 mmHg
Flash Point: 133.134 °C
PSA: 50.95000
LogP: 1.17380
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Specification

The CAS registry number of 4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-piperidine is 757175-70-5. This chemical's molecular formula is C8H13N3O and molecular weight is 167.211. What's more, its systematic name is called 5-Methyl-3-(4-piperidyl)-1,2,4-oxadiazole.

Physical properties about 4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-piperidine are: (1)ACD/LogP: 0.58; (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: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.95 Å2; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 44.158 cm3; (13)Molar Volume: 152.188 cm3; (14)Surface Tension: 41.524 dyne/cm; (15)Density: 1.099 g/cm3; (16)Flash Point: 133.134 °C; (17)Enthalpy of Vaporization: 53.631 kJ/mol; (18)Boiling Point: 296.525 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1nc(no1)C2CCNCC2
(2) InChI: InChI=1/C8H13N3O/c1-6-10-8(11-12-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
(3) InChIKey: ARRIZRNPHNCKOQ-UHFFFAOYAN