The CAS register number of 4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine is 297172-18-0. It also can be called as 5-(Piperidin-4-yl)-4-methyl-4h-1,2,4-triazol. The molecular formula about this chemical is C8H14N4 and the molecular weight is 166.22.
Physical properties about 4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 42.74 Å2; (5)Index of Refraction: 1.657; (6)Molar Refractivity: 47.24 cm3; (7)Molar Volume: 128.3 cm3; (8)Polarizability: 18.72x10-24cm3; (9)Surface Tension: 49 dyne/cm; (10)Density: 1.29 g/cm3; (11)Flash Point: 154 °C; (12)Enthalpy of Vaporization: 57.36 kJ/mol; (13)Boiling Point: 331 °C at 760 mmHg; (14)Vapour Pressure: 0.000161 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn2cnnc2C1CCNCC1
(2)InChI: InChI=1/C8H14N4/c1-12-6-10-11-8(12)7-2-4-9-5-3-7/h6-7,9H,2-5H2,1H3
(3)InChIKey: LBGLYAJNIDZGGO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-2-4-9-5-3-7/h6-7,9H,2-5H2,1H3
(5)Std. InChIKey: LBGLYAJNIDZGGO-UHFFFAOYSA-N
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