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Ethanol, 2-[2-(1-Piperazinyl)Ethoxy]-, Hydrochloride (1:2)
CAS: 85293-16-9 | C8H20Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85293-16-9
Molecular Formula:
C8H20Cl2N2O2
Molecular Mass:
247.17 g/mol
Names and Synonyms:
Ethanol, 2-[2-(1-Piperazinyl)Ethoxy]-, Hydrochloride (1:2)
Ethanol, 2-[2-(1-piperazinyl)ethoxy]-, hydrochloride (1:2)
Ethanol, 2-[2-(1-piperazinyl)ethoxy]-, dihydrochloride
1-[2(2-Hydroxyethoxy)ethyl]piperazine dihydrochloride
2-(2-(Piperazin-1-yl)ethoxy)ethanol dihydrochloride
Identifiers:
SMILES:
Cl.Cl.OCCOCCN1CCNCC1
InChI:
InChI=1S/C8H18N2O2.2ClH/c11-6-8-12-7-5-10-3-1-9-2-4-10;;/h9,11H,1-8H2;2*1H
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 | 247.17 g/mol | CAS Common Chemistry |
| 247.16599999999994 g/mol | RDKit | |
| 246.09018324 g/mol | RDKit | |
| Canonical SMILES | Cl.OCCOCCN1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2O2.2ClH/c11-6-8-12-7-5-10-3-1-9-2-4-10;;/h9,11H,1-8H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=JCYZKOJFYMJJTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanol, 2-[2-(1-piperazinyl)ethoxy]-, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | -0.2558999999999998 | RDKit |
| Molar Refractivity | 61.710500000000046 | RDKit |
