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1-(2-Ethoxyethyl)Piperazine
CAS: 13484-38-3 | C8H18N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13484-38-3
Molecular Formula:
C8H18N2O
Molecular Mass:
158.25 g/mol
Names and Synonyms:
1-(2-Ethoxyethyl)Piperazine
Piperazine, 1-(2-ethoxyethyl)-
1-(2-Ethoxyethyl)piperazine
1-[2-(Ethyloxy)ethyl]piperazine
Identifiers:
SMILES:
CCOCCN1CCNCC1
InChI:
InChI=1S/C8H18N2O/c1-2-11-8-7-10-5-3-9-4-6-10/h9H,2-8H2,1H3
Key Properties
Boiling Point
100 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
115-117 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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 |
|---|
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 | 158.25 g/mol | CAS Common Chemistry |
| 158.245 g/mol | RDKit | |
| 158.141913196 g/mol | RDKit | |
| Boiling Point | 100 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)CCN1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2O/c1-2-11-8-7-10-5-3-9-4-6-10/h9H,2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TXQLUKMSYDOGDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115-117 °C | CAS Common Chemistry |
| Name | 1-(2-Ethoxyethyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.5 Ų | RDKit |
| LogP | -0.07189999999999985 | RDKit |
| Molar Refractivity | 45.80270000000002 | RDKit |
