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Molecule
1,4-Diethylpiperazine
CAS: 6483-50-7 · C8H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6483-50-7
- Molecular Formula
- C8H18N2
- Molecular Mass
- 142.25 g/mol
Identifiers
CAS Registry Number
6483-50-7
SMILES
CCN1CCN(CC)CC1
InChI Key
DDPRYTUJYNYJKV-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2/c1-3-9-5-7-10(4-2)8-6-9/h3-8H2,1-2H3
Names and Synonyms
- 1,4-Diethylpiperazine Synonym
- Piperazine, 1,4-diethyl- Synonym
- 1,4-Diethylpiperazine Synonym
- N,N′-Diethylpiperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.25 g/mol | CAS Common Chemistry |
| 142.24599999999998 g/mol | RDKit | |
| 142.246 g/mol | RDKit | |
| Canonical SMILES | N1(CC)CCN(CC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2/c1-3-9-5-7-10(4-2)8-6-9/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DDPRYTUJYNYJKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,4-Diethylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 0.6437999999999997 | RDKit |
| 0.6438 | RDKit | |
| Molar Refractivity | 44.228000000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 142.146998576 g/mol | RDKit |
| Boiling Point | 172-176 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 142.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18N2.
