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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 Weight:
114.192 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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.192 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.11569844799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.13640000000000008 | RDKit |
| molecular_mass | 114.19 g/mol | Legacy Database |
| cas-boiling-point | 131 °C None | Legacy Database |
| cas-canonical-smile | N1(C)CCN(C)CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=RXYPXQSKLGGKOL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 168-169 °C None | Legacy Database |
| cas-name | 1,4-Dimethylpiperazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.99399999999999 | RDKit |
