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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 Mass:
130.19 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
Key Properties
Boiling Point
246 °C
CAS Common Chemistry
Melting Point
147-148 °C @ Solvent: Ethanol
CAS Common Chemistry
Density
1.05 g/cm³
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 | 130.19 g/mol | CAS Common Chemistry |
| 130.191 g/mol | RDKit | |
| 130.110613068 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0541 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 246 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WFCSWCVEJLETKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147-148 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 1-Piperazineethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.5 Ų | RDKit |
| LogP | -1.116099999999999 | RDKit |
| Molar Refractivity | 36.3955 | RDKit |
