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| CAS No.: | 894-56-4 |
|---|---|
| Name: | 1-[(4-chlorophenyl)benzyl]piperazinium chloride |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C17H19 Cl N2 . Cl H |
| Molecular Weight: | 359.726 |
| Synonyms: | Piperazine,1-(p-chloro-a-phenylbenzyl)-,monohydrochloride (8CI); Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-,monohydrochloride (9CI) |
| Boiling Point: | 422.5°C at 760 mmHg |
| Flash Point: | 209.3°C |
| Safety: | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of HCl and NOx. |
| PSA: | 15.27000 |
| LogP: | 4.40330 |
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- Total:3 Page 1 of 1 1
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Chemistry
IUPAC Name: 1-[(4-Chlorophenyl)-phenylmethyl]piperazine hydrochloride
Following is the structure of 1-((4-Chlorophenyl)benzyl)piperazinium chloride (CAS NO.894-56-4):
Empirical Formula: C17H20Cl2N2
Molecular Weight: 323.2601 g/mol
EINECS: 212-972-5
Flash Point: 193.3 °C
Enthalpy of Vaporization: 66.12 kJ/mol
Boiling Point: 409.1 °C at 760 mmHg
Vapour Pressure of 1-((4-Chlorophenyl)benzyl)piperazinium chloride (CAS NO.894-56-4): 6.66E-07 mmHg at 25 °C
Canonical SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl
InChI: InChI=1S/C17H19ClN2.ClH/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20;/h1-9,17,19H,10-13H2;1H
InChIKey: XFIUZNUONMJUIH-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-rat LD50:100 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,213. | ||
| 2. | orl-mus LD50:300 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,213. | ||
| 3. | ipr-mus LD50:137 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 96 (1949),388. | ||
| 4. | scu-mus LD50:200 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,213. | ||
| 5. | ivn-mus LD50:50,800 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 1 (1956),454. | ||
| 6. | ipr-dog LD50:125 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,213. | ||
| 7. | ipr-cat LD50:75 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,213. | ||
| 8. | ipr-gpg LD50:100 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,213. |
Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition, 1-((4-Chlorophenyl)benzyl)piperazinium chloride (CAS NO.894-56-4) emits very toxic fumes of HCl and NOx.
Specification
1-((4-Chlorophenyl)benzyl)piperazinium chloride , its cas register number is 894-56-4. It also can be called Piperazine, 1-((4-chlorophenyl)phenylmethyl)-, hydrochloride ; Norchlorcyclizine HCl ; and Norchlorcyclizine hydrochloride .