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Molecule
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
Identifiers
CAS Registry Number
103-76-4
SMILES
OCCN1CCNCC1
InChI Key
WFCSWCVEJLETKA-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
Names and Synonyms
- 1-Piperazineethanol Synonym
- 1-Piperazineethanol Synonym
- N-(β-Hydroxyethyl)piperazine Synonym
- 1-(2-Hydroxyethyl)piperazine Synonym
- N-(2-Hydroxyethyl)piperazine Synonym
- 2-Piperazinoethanol Synonym
- 1-(β-Hydroxyethyl)piperazine Synonym
- 2-(1-Piperazinyl)ethanol Synonym
- (β-Hydroxyethyl)piperazine Synonym
- NSC 26884 Synonym
- NSC 38969 Synonym
- NSC 60706 Synonym
- N-(2′-Hydroxyethyl)piperazine Synonym
- 2-(Piperazin-1-yl)ethanol Synonym
- 2-(Piperazin-1-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.19 g/mol | CAS Common Chemistry |
| 130.191 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0541 g/cm3 @ 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 |
| 35.27 Ų | chempirical lib | |
| LogP | -1.116099999999999 | RDKit |
| -1.1161 | RDKit | |
| Molar Refractivity | 36.3955 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 130.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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20
0 ppm
| 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.
External Resources
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Quick conversion
MW = 130.19 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2O.
