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| CAS No.: | 109-01-3 |
|---|---|
| Name: | 1-Methylpiperazine |
| Article Data: | 113 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H12N2 |
| Molecular Weight: | 100.164 |
| Synonyms: | 1-Methyl-1,4-piperazine;N-Methylpiperazine;NSC 30195;NSC 30675;N-Methyl piperazine; |
| EINECS: | 203-639-5 |
| Density: | 0.882 g/cm3 |
| Melting Point: | -6 °C |
| Boiling Point: | 138 °C at 760 mmHg |
| Flash Point: | 42.2 °C |
| Solubility: | miscible with water and methanol |
| Appearance: | Colourless liquid |
| Hazard Symbols: |
 T, F, C, Xi
|
| Risk Codes: | 10-21-23-34-36/37/38 |
| Safety: | 16-26-36/37/39-45-36 |
| Transport Information: | UN 2734 8/PG 2 |
| PSA: | 15.27000 |
| LogP: | -0.21190 |
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| Conditions | Yield |
|---|---|
| In xylene for 6h; Heating; | A n/a B 100% |
| under 0.075006 Torr; Pyrolysis; |
- 16339-07-4
1-methyl-4-nitroso-piperazine
A
- 109-01-3
1-methyl-piperazine
B
- 6928-85-4
N-amino-N'-methylpiperazine
| Conditions | Yield |
|---|---|
| With carbon dioxide; water; ammonium chloride; zinc at 35℃; under 1500.15 Torr; for 1.5h; Reagent/catalyst; Temperature; Pressure; Autoclave; Green chemistry; | A n/a B 96% |
| With hydrogen In water at 50℃; under 37503.8 Torr; for 5h; Autoclave; Green chemistry; | A n/a B 38% |
- 5423-24-5
N-methyliminodiacetonitrile
A
- 109-01-3
1-methyl-piperazine
B
- 4097-88-5
1,5-diamino-3-azamethylpentane
| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 120 - 600℃; under 15001.5 Torr; Temperature; Solvent; Reagent/catalyst; | A 92.4% B 6.8% |
| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 100 - 600℃; under 15001.5 Torr; | 92.1% |
- 325812-49-5
2-nitro-(N-methylpiperazinyl)phenylsulphonamide
- 109-01-3
1-methyl-piperazine
| Conditions | Yield |
|---|---|
| With polystyrene-thiophenol; caesium carbonate; triphenylphosphine In tetrahydrofuran at 20℃; for 24h; | 92% |
- 64055-53-4
2-[2-(ethyloxy)phenyl]quinazoline-4(3H)-one
A
- 109-01-3
1-methyl-piperazine
B
- 150479-47-3
2-[2-Ethoxy-5-(4-methyl-1-piperazinylsulphonyl)phenyl]-quinazolin-4(3H)-one
| Conditions | Yield |
|---|---|
| A n/a B 79% | |
| A n/a B 79% |
- 16339-07-4
1-methyl-4-nitroso-piperazine
- 109-01-3
1-methyl-piperazine
| Conditions | Yield |
|---|---|
| With ammonium formate; PdMCM-41 In methanol at 69.84℃; for 2.5h; | 74% |
| With hydrogenchloride; ammonium sulphamate; sodium thiocyanide at 50℃; Rate constant; 1 N HClO4 (aq.), NaSCN; |
- 66739-87-5
4-methylpiperazin-1-ylbenzenesulfonamide
- 109-01-3
1-methyl-piperazine
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; sodium iodide In acetonitrile for 3h; Heating; | 74% |
- 110-85-0
piperazine
- 616-38-6
carbonic acid dimethyl ester
A
- 109-01-3
1-methyl-piperazine
B
- 106-58-1
N,N'-dimethylpiperazine
| Conditions | Yield |
|---|---|
| at 110℃; for 10h; atmospheric pressure; | A 29% B n/a |
| Conditions | Yield |
|---|---|
| at 110℃; for 10h; | 29% |
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Consensus Reports
Specification
The IUPAC name of this chemical is 1-methylpiperazine. With the CAS registry number 109-01-3 and EINECS 203-639-5, it is also named as Piperazine, 1-methyl-. The product's categories are Piperidines, Piperidones, Piperazines; Piperaizine; Piperazine Derivates; Heterocyclic Building Blocks; Heterocyclics; MAlphabetic; Volatiles / Semivolatiles. It is colourless liquid which is soluble in water, ether and ethanol, and miscible with water and methanol. Waht's more, this chemical can be obtained by methylation of piperazine hexahydrate. Additionally, it should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -2.37; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 30.06 cm3; (15)Molar Volume: 113.5 cm3; (16)Surface Tension: 25.5 dyne/cm; (17)Enthalpy of Vaporization: 37.53 kJ/mol; (18)Vapour Pressure: 6.86 mmHg at 25°C; (19)Exact Mass: 100.100048; (20)MonoIsotopic Mass: 100.100048; (21)Topological Polar Surface Area: 15.3; (22)Heavy Atom Count: 7; (23)Complexity: 48.
Uses of N-Methylpiperazine: It is used as intermediate in organic synthesis. In pharmaceutical industry, it is used to produce antibiotic drug Rifampicin, antipsychotic drug trifluoperazine and so on. It is not only used as intermediate of ofloxacin, clozapine, sildenafil, zopiclone, but also used in pesticides, dyes, plastics and other industries. In addition, this chemical can react with 1-chloro-4-methoxy-benzene to get 1-(4-methoxy-phenyl)-4-methyl-piperazine. This reaction which is a kind of Arylation needs reagent Pd(OAc)2, t-BuONa, 2-(dicyclohexylphosphino)biphenyl and solvent toluene at temperature of 100 °C. The reaction time is 21 hours. The yield is 83%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable and can cause burns, so people should keep it away from sources of ignition. It is not only toxic by inhalation, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:N1CCN(C)CC1
2. InChI:InChI=1/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
3. InChIKey:PVOAHINGSUIXLS-UHFFFAOYAN
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 2740mg/m3/2H (2740mg/m3) | BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 11, Pg. 123, 1969. |
| mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | National Technical Information Service. Vol. AD691-490, | |
| mouse | LD50 | oral | 1450mg/kg (1450mg/kg) | BEHAVIORAL: EXCITEMENT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 116, 1979. |
| rabbit | LD50 | skin | 1490uL/kg (1.49mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | oral | 2830uL/kg (2.83mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |