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1-Phenylpiperazine hydrochloride

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Name

1-Phenylpiperazine hydrochloride

EINECS 218-646-9
CAS No. 2210-93-7 Density 1.028g/cm3
PSA 15.27000 LogP 2.29200
Solubility N/A Melting Point 247-250 °C(lit.)
Formula C10H15ClN2 Boiling Point 287.2 °C at 760 mmHg
Molecular Weight 198.695 Flash Point 138.3 °C
Transport Information UN 2811 6.1/PG 3 Appearance white to off-white crystalline powder
Safety 26-28-36/37/39-45 Risk Codes 23/24/25-36/37/38
Molecular Structure Molecular Structure of 2210-93-7 (1-Phenylpiperazine hydrochloride) Hazard Symbols ToxicT
Synonyms

Piperazine,1-phenyl-, monohydrochloride (8CI,9CI);4-Phenylpiperazine hydrochloride;N-Phenylpiperazine hydrochloride;

Article Data 19

1-Phenylpiperazine hydrochloride 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%.

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.

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