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Molecule
2,6-Dimethylpiperazine
CAS: 108-49-6 · C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 108-49-6
- Molecular Formula
- C6H14N2
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
108-49-6
SMILES
CC1CNCC(C)N1
InChI Key
IFNWESYYDINUHV-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3
Names and Synonyms
- 2,6-Dimethylpiperazine Synonym
- NSC 49197 Synonym
- 3,5-Dimethylpiperazine Synonym
- Piperazine, 2,6-dimethyl- Synonym
- 2,6-Dimethylpiperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.192 g/mol | RDKit | |
| Boiling Point | 157-165 °C | CAS Common Chemistry |
| Canonical SMILES | N1CC(NC(C)C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IFNWESYYDINUHV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-113 °C | CAS Common Chemistry |
| Name | 2,6-Dimethylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | -0.043800000000000006 | RDKit |
| -0.0438 | RDKit | |
| Molar Refractivity | 34.92939999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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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MW = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
