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1-Piperazineethanol
CAS: 103-76-4 | C6H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-76-4
Molecular Formula:
C6H14N2O
Molecular Weight:
130.191 g/mol
Names and Synonyms:
1-Piperazineethanol
1-Piperazineethanol
N-(β-Hydroxyethyl)piperazine
1-(2-Hydroxyethyl)piperazine
N-(2-Hydroxyethyl)piperazine
2-Piperazinoethanol
1-(β-Hydroxyethyl)piperazine
2-(1-Piperazinyl)ethanol
(β-Hydroxyethyl)piperazine
NSC 26884
NSC 38969
NSC 60706
N-(2′-Hydroxyethyl)piperazine
2-(Piperazin-1-yl)ethanol
2-(Piperazin-1-yl)ethan-1-ol
Identifiers:
SMILES:
OCCN1CCNCC1
InChI:
InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.191 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.110613068 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.116099999999999 | RDKit |
| molecular_mass | 130.19 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| cas-boiling-point | 246 °C None | Legacy Database |
| cas-canonical-smile | OCCN1CCNCC1 None | Legacy Database |
| cas-density | 1.0541 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WFCSWCVEJLETKA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 147-148 °C @ Solvent: Ethanol None | Legacy Database |
| cas-name | 1-Piperazineethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.3955 | RDKit |
