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1-(2-Methoxyethyl)piperazine

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Name

1-(2-Methoxyethyl)piperazine

EINECS 627-897-7
CAS No. 13484-40-7 Density 0.936 g/cm3
PSA 24.50000 LogP -0.19530
Solubility N/A Melting Point 100-101 °C
Formula C7H16N2O Boiling Point 199.9 °C at 760 mmHg
Molecular Weight 144.217 Flash Point 74.7 °C
Transport Information UN 2735 8/PG 3 Appearance Clear colorless to yellow liquid
Safety 26-36/37/39-45-37/39 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 13484-40-7 (1-(2-Methoxyethyl)piperazine) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

1-[2-(Methyloxy)ethyl]piperazine;4-(2-Methoxyethyl)piperazine;N-(2-Methoxyethyl)piperazine;

Article Data 14

1-(2-Methoxyethyl)piperazine 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%.

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%.

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

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