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1-[2-(2-Hydroxyethoxy)Ethyl]Piperazine
CAS: 13349-82-1 | C8H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13349-82-1
Molecular Formula:
C8H18N2O2
Molecular Mass:
174.24 g/mol
Names and Synonyms:
1-[2-(2-Hydroxyethoxy)Ethyl]Piperazine
Ethanol, 2-[2-(1-piperazinyl)ethoxy]-
2-[2-(1-Piperazinyl)ethoxy]ethanol
N-Hydroxyethoxyethylpiperazine
1-[2-(2-Hydroxyethoxy)ethyl]piperazine
1-[2-[(2-Hydroxyethyl)oxy]ethyl]piperazine
1-((2-Hydroxyethoxy)ethyl)piperazine
2-[2-(Piperazin-1-yl)ethoxy]ethan-1-ol
Identifiers:
SMILES:
OCCOCCN1CCNCC1
InChI:
InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2
Key Properties
Boiling Point
112-114 °C @ Press: 0.25 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.24 g/mol | CAS Common Chemistry |
| 174.244 g/mol | RDKit | |
| 174.136827816 g/mol | RDKit | |
| Boiling Point | 112-114 °C @ Press: 0.25 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCN1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FLNQAPQQAZVRDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-[2-(2-Hydroxyethoxy)ethyl]piperazine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.730000000000004 Ų | RDKit |
| LogP | -1.0994999999999986 | RDKit |
| Molar Refractivity | 47.21450000000002 | RDKit |
