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Molecule
1-[2-(2-Hydroxyethoxy)Ethyl]Piperazine
CAS: 13349-82-1 · C8H18N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13349-82-1
- Molecular Formula
- C8H18N2O2
- Molecular Mass
- 174.24 g/mol
Identifiers
CAS Registry Number
13349-82-1
SMILES
OCCOCCN1CCNCC1
InChI Key
FLNQAPQQAZVRDA-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2
Names and Synonyms
- 1-[2-(2-Hydroxyethoxy)Ethyl]Piperazine Synonym
- Ethanol, 2-[2-(1-piperazinyl)ethoxy]- Synonym
- 2-[2-(1-Piperazinyl)ethoxy]ethanol Synonym
- N-Hydroxyethoxyethylpiperazine Synonym
- 1-[2-(2-Hydroxyethoxy)ethyl]piperazine Synonym
- 1-[2-[(2-Hydroxyethyl)oxy]ethyl]piperazine Synonym
- 1-((2-Hydroxyethoxy)ethyl)piperazine Synonym
- 2-[2-(Piperazin-1-yl)ethoxy]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.24 g/mol | CAS Common Chemistry |
| 174.244 g/mol | RDKit | |
| 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 |
| 44.73 Ų | RDKit | |
| 44.5 Ų | chempirical lib | |
| LogP | -1.0994999999999986 | RDKit |
| -1.0995 | RDKit | |
| Molar Refractivity | 47.21450000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 174.136827816 g/mol | RDKit |
| Boiling Point | 112-114 °C @ 0.25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
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MW = 174.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18N2O2.
