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CAS No.: | 142-63-2 |
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Name: | PIPERAZINE HEXAHYDRATE |
Molecular Structure: | |
Formula: | C4H10N2.6H2O |
Molecular Weight: | 194.228 |
Synonyms: | Piperazine, hydrate(1:6);Piperazine, hexahydrate (8CI,9CI);Arpezine;Arthriticine;Parid;Vermisol; |
EINECS: | 203-808-3 |
Density: | 1.92g/cm3 |
Melting Point: | 42-44 °C |
Boiling Point: | 149.3 °C at 760 mmHg |
Flash Point: | 49.7 °C |
Solubility: | almost transparency |
Appearance: | white or transparant adhering crystals |
Hazard Symbols: | C |
Risk Codes: | 34-42/43-52/53 |
Safety: | 22-26-36/37/39-45-61 |
Transport Information: | UN 2579 8/PG 3 |
PSA: | 79.44000 |
LogP: | -0.54900 |
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The Piperazine, hexahydrate, with the CAS registry number 142-63-2, is also known as Arpezine. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Piperazines. Its EINECS number is 203-808-3. This chemical's molecular formula is C4H10N2.6H2O and molecular weight is 194.23. What's more, its systematic name is Piperazine hexahydrate. Its classification code is Drug / Therapeutic Agent. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is used to produce anthelminthics. It is also used as preservative, antioxygen, rubber chemicals and so on.
Physical properties of Piperazine, hexahydrate are: (1)ACD/LogP: -1.171; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.44; (4)ACD/LogD (pH 7.4): -3.58; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 49.7 °C; (14)Enthalpy of Vaporization: 38.62 kJ/mol; (15)Boiling Point: 149.3 °C at 760 mmHg; (16)Vapour Pressure: 4.05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It may cause sensitisation by inhalation and skin contact. It is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). You should avoid releasing it to the environment, and you must refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O.O.O.O.O.O.N1CCNCC1
(2)Std. InChI: InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2
(3)Std. InChIKey: AVRVZRUEXIEGMP-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | National Technical Information Service. Vol. AD277-689, | |
mouse | LD50 | oral | 11200mg/kg (11200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of Medicinal Chemistry. Vol. 6, Pg. 336, 1963. |
rat | LDLo | oral | 500mg/kg (500mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947. |