Molecular Structure of 1-Benzyl-3-methyl-5-(2-(4-methyl-1-piperazinyl)ethoxy)pyrazole (CAS NO.15090-12-7):
IUPAC: 1-[2-(2-Benzyl-5-methyl-pyrazol-3-yl)oxyethyl]-4-methyl-piperazine
Molecular Formula:C18H26N4O
Molecular Weight: 314.4252
Density:1.12 g/cm3
Flash Point:241.5oC
Boiling Point:475.6oC at 760 mmHg
SMILES:O(c1cc(nn1Cc2ccccc2)C)CCN3CCN(CC3)C
InChI:InChI=1/C18H26N4O/c1-16-14-18(22(19-16)15-17-6-4-3-5-7-17)23-13-12-21-10-8-20(2)9-11-21/h3-7,14H,8-13,15H2,1-2H3
InChIKey:OLJGURHAYUAIJM-UHFFFAOYAA
Index of Refraction:1.588
Molar Volume:278.6 cm3
Surface Tension:42.4 dyne/cm
Molar Refractivity:93.79 cm3
Enthalpy of Vaporization:73.92 kJ/mol
Vapour Pressure:3.26E-09 mmHg at 25oC
1. | orl-mus LD50:362 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 17 (1967),214. | ||
2. | scu-mus LD50:230 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 17 (1967),214. |
Poison by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx.
1-Benzyl-3-methyl-5-(2-(4-methyl-1-piperazinyl)ethoxy)pyrazole with cas registry number of 15090-12-7 is also known as 1-Benzyl-3-methyl-5-(2-(4-methyl-1-piperazinyl)ethoxy)pyrazole ; 5-23-10-00534 (Beilstein Handbook Reference) ; B-324 ; BRN 0836598 ; Pyrazole,1-benzyl-3-methyl-5-(2-(4-methyl-1-piperazinyl)ethoxy)- . It is stable under normal temperatures and pressures but it also should be stored in a cool, dry place when not in use. 1-Benzyl-3-methyl-5-(2-(4-methyl-1-piperazinyl)ethoxy)pyrazole with cas registry number of 15090-12-7 is used as a pharmaceutical intermediate.
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