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| CAS No.: | 13078-15-4 |
|---|---|
| Name: | 1-(3-Chlorophenyl)piperazine hydrochloride |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H13ClN2.HCl |
| Molecular Weight: | 233.141 |
| Synonyms: | 1-(m-Chlorophenyl)piperazine hydrochloride;Piperazine, 1-(m-chlorophenyl)-, monohydrochloride;Piperazine, 1-(3-chlorophenyl)-, monohydrochloride;1-(3-Chlorophenyl)piperazine monohydrochloride; |
| EINECS: | 235-976-9 |
| Melting Point: | 212-214 °C |
| Boiling Point: | 336.4 °C at 760 mmHg |
| Flash Point: | 157.2 °C |
| Solubility: | soluble in water |
| Appearance: | white powder |
| Hazard Symbols: | R25:Toxic if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | R25; R36/37/38 |
| Transport Information: | UN 2811 |
| PSA: | 15.27000 |
| LogP: | 2.94540 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The IUPAC name of this chemical is 1-(3-chlorophenyl)piperazine hydrochloride. With the CAS registry number 13078-15-4 and EINECS 235-976-9, it is also named as Piperazine, 1-(3-chlorophenyl)-, monohydrochloride. The product's categories are Piperidines, Piperidones, Piperazines; Piperazine Derivates. It is white powder which is hygroscopic. Additionally, this chemical should be sealed in the container and stored in the cool, well-ventilated and dry place. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
The other characteristics of 1-(3-Chlorophenyl)piperazine hydrochloride can be summarized as: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 25.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 157.2 °C; (14)Enthalpy of Vaporization: 57.95 kJ/mol; (15)Boiling Point: 336.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000112 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Exact Mass: 232.053404; (19)MonoIsotopic Mass: 232.053404; (20)Topological Polar Surface Area: 15.3; (21)Heavy Atom Count: 14; (22)Complexity: 157.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.Clc1cc(ccc1)N2CCNCC2
2. InChI:InChI=1/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H
3. InChIKey:MHXPYWFZULXYHT-UHFFFAOYAO
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intravenous | 36mg/kg (36mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17(Suppl, |
| rat | LD50 | oral | 142mg/kg (142mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17(Suppl, |
| women | TDLo | oral | 500ug/kg (0.5mg/kg) | BEHAVIORAL: HEADACHE GASTROINTESTINAL: NAUSEA OR VOMITING | Clinical Pharmacology and Therapeutics Vol. 43, Pg. 605, 1988. |