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CAS No.: | 17766-68-6 |
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Name: | 1-(2-methoxyphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine |
Molecular Structure: | |
Formula: | C21H26N2O5 |
Molecular Weight: | 386.49 |
Density: | 1.186g/cm3 |
Boiling Point: | 578.3°Cat760mmHg |
Flash Point: | 303.5°C |
Safety: | A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. |
PSA: | 60.47000 |
LogP: | 2.68630 |
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The Molecular Structure of 4-(o-Methoxyphenyl)piperazinyl 3,4,5-trimethoxyphenyl ketone (CAS NO.17766-68-6):
Molecular Formula: C21H26N2O5
Molecular Weight: 386.441540 g/mol
IUPAC: [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Index of Refraction: 1.566
Molar Refractivity: 106.38 cm3
Molar Volume: 325.7 cm3
Surface Tension: 44.3 dyne/cm
Density: 1.186 g/cm3
Flash Point: 303.5 °C
Enthalpy of Vaporization: 86.55 kJ/mol
Boiling Point: 578.3 °C at 760 mmHg
Vapour Pressure: 2.27E-13 mmHg at 25°C
InChI
InChI=1/C21H26N2O5/c1-25-17-8-6-5-7-16(17)22-9-11-23(12-10-22)21(24)15-13-18(26-2)20(28-4)19(14-15)27-3/h5-8,13-14H,9-12H2,1-4H3 Smiles
c1(N2CCN(C(c3cc(c(OC)c(c3)OC)OC)=O)CC2)c(cccc1)OC
Classification Code: classified as Drug / Therapeutic Agent
1. | ipr-mus LD50:75 mg/kg | JMCMAR Journal of Medicinal Chemistry. 11 (1968),332. |
A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
DOT Classification: 3; Label: Flammable Liquid
4-(o-Methoxyphenyl)piperazinyl 3,4,5-trimethoxyphenyl ketone (CAS NO.17766-68-6) is also called as 1-(o-Methoxyphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine ; 5-23-02-00004 (Beilstein Handbook Reference) ; BRN 1605432 ; Piperazine, 1-(o-methoxyphenyl)-4-(3,4,5-trimethoxybenzoyl)- ; Ketone, 4-(o-methoxyphenyl)piperazinyl 3,4,5-trimethoxyphenyl .