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689761-26-0

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Basic Information
CAS No.: 689761-26-0
Name: 5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole
Molecular Structure:
Molecular Structure of 689761-26-0 (5-(1-Benzylpiperidin-4-yl)-4-methyl-4h-1,2,4-triazole)
Formula: C15H20N4
Molecular Weight: 256.35
Synonyms: 4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)piperidine;piperidine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)-;
Density: 1.17 g/cm3
Boiling Point: 414.6 °C at 760 mmHg
Flash Point: 204.5 °C
PSA: 33.95000
LogP: 2.13260
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Specification

The CAS register number of 4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)piperidine is 689761-26-0. It also can be called as piperidine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)- and the systematic name about this chemical is 1-benzyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine. The molecular formula about this chemical is C15H20N4 and the molecular weight is 256.35.

Physical properties about 4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)piperidine are: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): -0.87; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.81; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 36.31; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 33.95Å2; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 77.86 cm3; (13)Molar Volume: 218.7 cm3; (14)Polarizability: 30.86x10-24cm3; (15)Surface Tension: 45.9 dyne/cm; (16)Enthalpy of Vaporization: 66.75 kJ/mol; (17)Boiling Point: 414.6 °C at 760 mmHg; (18)Vapour Pressure: 4.41E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nc(n(c1)C)C3CCN(Cc2ccccc2)CC3
(2)InChI: InChI=1/C15H20N4/c1-18-12-16-17-15(18)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
(3)InChIKey: JCFPQYCNDCXHJK-UHFFFAOYAX