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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
Names and Synonyms:
2,6-Dimethylpiperazine
NSC 49197
3,5-Dimethylpiperazine
Piperazine, 2,6-dimethyl-
2,6-Dimethylpiperazine
Identifiers:
SMILES:
CC1CNCC(C)N1
InChI:
InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3
Key Properties
Boiling Point
157-165 °C
CAS Common Chemistry
Melting Point
110-113 °C
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 | 114.19 g/mol | CAS Common Chemistry |
| 114.192 g/mol | RDKit | |
| 114.11569844799999 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 |
| Molar Refractivity | 34.92939999999999 | RDKit |
