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1,4-Dimethylpiperazine
CAS: 106-58-1 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-58-1
Molecular Formula:
C6H14N2
Molecular Mass:
114.19 g/mol
Names and Synonyms:
1,4-Dimethylpiperazine
Piperazine, 1,4-dimethyl-
1,4-Dimethylpiperazine
N,N′-Dimethylpiperazine
Lupetazine
Texacat DMP
NSC 41177
Jeffcat DMP
RCA 117
Addocat 117
Identifiers:
SMILES:
CN1CCN(C)CC1
InChI:
InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3
Key Properties
Boiling Point
131 °C
CAS Common Chemistry
Melting Point
168-169 °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 | 131 °C | CAS Common Chemistry |
| Canonical SMILES | N1(C)CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RXYPXQSKLGGKOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | 1,4-Dimethylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | -0.13640000000000008 | RDKit |
| Molar Refractivity | 34.99399999999999 | RDKit |
