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| CAS No.: | 13484-40-7 |
|---|---|
| Name: | 1-(2-Methoxyethyl)piperazine |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C7H16N2O |
| Molecular Weight: | 144.217 |
| Synonyms: | 1-[2-(Methyloxy)ethyl]piperazine;4-(2-Methoxyethyl)piperazine;N-(2-Methoxyethyl)piperazine; |
| EINECS: | 627-897-7 |
| Density: | 0.936 g/cm3 |
| Melting Point: | 100-101 °C |
| Boiling Point: | 199.9 °C at 760 mmHg |
| Flash Point: | 74.7 °C |
| Appearance: | Clear colorless to yellow liquid |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39-45-37/39 |
| Transport Information: | UN 2735 8/PG 3 |
| PSA: | 24.50000 |
| LogP: | -0.19530 |
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Specification
The IUPAC name of this chemical is 1-(2-methoxyethyl)piperazine. With the CAS registry number 13484-40-7, it is aslo named as Piperazine, 1-(2-methoxyethyl)-. The product's categories are Amines and Anilines; Heterocycles; Building Blocks; Heterocyclic Building Blocks; Piperazines. It is clear colorless to yellow liquid.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.43; (4)ACD/LogD (pH 7.4): -2.18; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 41.06 cm3; (14)Molar Volume: 153.9 cm3; (15)Polarizability: 16.27×10-24 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Enthalpy of Vaporization: 43.61 kJ/mol; (18)Vapour Pressure: 0.333 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 144.126263; (21)MonoIsotopic Mass: 144.126263; (22)Topological Polar Surface Area: 24.5; (23)Heavy Atom Count: 10; (24)Complexity: 81.7.
Preparation of 1-(2-Methoxyethyl)piperazine: It can be obtained by piperazine and 1-chloro-2-methoxy-ethane. This reaction needs reagent NaHCO3 at temperature of 55-60 °C. The yield is 70%.
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Uses of 1-(2-Methoxyethyl)piperazine: It can react with (2-oxo-pyrrolidino)-acetic acid ethyl ester to get 1-{2-[4-(2-methoxy-ethyl)-πperazin-1-yl]-2-oxo-ethyl}-pyrrolidin-2-one. This reaction needs reagent NaH at temperature of 100-140 °C. The reaction time is 8 hours. The yield is 67%.
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When you are using this chemical, please be cautious about it as the following:
It can cause burns. It is 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:O(CCN1CCNCC1)C
2. InChI:InChI=1/C7H16N2O/c1-10-7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
3. InChIKey:BMEMBBFDTYHTLH-UHFFFAOYAP