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| CAS No.: | 2210-93-7 |
|---|---|
| Name: | 1-Phenylpiperazine hydrochloride |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C10H15ClN2 |
| Molecular Weight: | 198.695 |
| Synonyms: | Piperazine,1-phenyl-, monohydrochloride (8CI,9CI);4-Phenylpiperazine hydrochloride;N-Phenylpiperazine hydrochloride; |
| EINECS: | 218-646-9 |
| Density: | 1.028g/cm3 |
| Melting Point: | 247-250 °C(lit.) |
| Boiling Point: | 287.2 °C at 760 mmHg |
| Flash Point: | 138.3 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 T
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| Risk Codes: | 23/24/25-36/37/38 |
| Safety: | 26-28-36/37/39-45 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 15.27000 |
| LogP: | 2.29200 |
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Specification
The Piperazine, 1-phenyl-,hydrochloride (1:1), with CAS registry number 2210-93-7, belongs to the following product categories: (1)Piperidines, Piperidones, Piperazines; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Piperazines. It has the systematic name of 1-phenylpiperazine hydrochloride (1:1). This chemical is a kind of white to off-white crystalline powder. And the chemical formula of this chemical is C10H15ClN2. What's more, its EINECS is 218-646-9.
Physical properties of Piperazine, 1-phenyl-,hydrochloride (1:1): (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.26; (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: 138.3 °C; (14)Enthalpy of Vaporization: 52.64 kJ/mol; (15)Boiling Point: 287.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00252 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-(2-phenylamino-ethyl)-oxazolidin-2-one; hydrochloride. This reaction temperature is 170 ℃. The yield is about 46%.
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When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is toxic by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.c1cc(ccc1)N2CCNCC2
(2)InChI: InChI=1/C10H14N2.ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H
(3)InChIKey: NQNZNONJZASOKL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H14N2.ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H
(5)Std. InChIKey: NQNZNONJZASOKL-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 140mg/kg (140mg/kg) | Compilation of LD50 Values of New Drugs. |