Basic Information | Post buying leads | Suppliers |
Name |
4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)piperidine |
EINECS | N/A |
CAS No. | 689761-26-0 | Density | 1.17 g/cm3 |
PSA | 33.95000 | LogP | 2.13260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H20N4 | Boiling Point | 414.6 °C at 760 mmHg |
Molecular Weight | 256.35 | Flash Point | 204.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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)-; |
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