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| Name |
1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) |
EINECS | N/A |
| CAS No. | 4415-51-4 | Density | 1.235g/cm3 |
| PSA | 45.67000 | LogP | 3.11650 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H22ClN3O2 | Boiling Point | 550.9°Cat760mmHg |
| Molecular Weight | 371.90 | Flash Point | 287°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) Chemical Properties
The Molecular Structure of 1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) (CAS NO. 4415-51-4):
Molecular Formula: C20H22ClN3O2
Molecular Weight: 371.860580 g/mol
IUPAC: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-pyridin-2-ylprop-2-enoate
Index of Refraction: 1.609
Molar Refractivity: 104.2 cm3
Molar Volume: 300.8 cm3
Surface Tension: 51.7 dyne/cm
Density: 1.235 g/cm3
Flash Point: 287 °C
Enthalpy of Vaporization: 83.11 kJ/mol
Boiling Point: 550.9 °C at 760 mmHg
Vapour Pressure: 3.49E-12 mmHg at 25°C
InChI
InChI=1/C20H22ClN3O2/c21-17-4-7-19(8-5-17)24-13-11-23(12-14-24)15-16-26-20(25)9-6-18-3-1-2-10-22-18/h1-10H,11-16H2/b9-6+
Smiles
N1(c2ccc(cc2)Cl)CCN(CC1)CCOC(\C=C\c1ncccc1)=O
Classification Code: Drug / Therapeutic Agent
1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) Toxicity Data With Reference
| 1. | orl-rat LD50:478 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 10 (1967),444. | ||
| 2. | ipr-rat LD50:311 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 55 (1966),1105. | ||
| 3. | orl-mus LD50:529 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 55 (1966),1105. | ||
| 4. | ipr-mus LD50:280 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 55 (1966),290. |
1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) Specification
1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) (CAS NO. 4415-51-4) is also called as BRN 0572917 ; DA 1529 ; Piperazine, 1-(4-chlorophenyl)-4-(2-(3-(2-pyridyl)acryloxy)ethyl)- ; 2-Propenoic acid, 3-(2-pyridinyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester (9CI) ; 2-Pyridineacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl) ethyl ester .
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