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2-Ethylpiperazine
CAS: 13961-37-0 | C6H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13961-37-0
Molecular Formula:
C6H14N2
Molecular Mass:
114.19 g/mol
Names and Synonyms:
2-Ethylpiperazine
Piperazine, 2-ethyl-
2-Ethylpiperazine
Identifiers:
SMILES:
CCC1CNCCN1
InChI:
InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3
Key Properties
Boiling Point
178.0-181.0 °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 | 178.0-181.0 °C | CAS Common Chemistry |
| Canonical SMILES | N1CCNC(C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DXOHZOPKNFZZAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | -0.04219999999999996 | RDKit |
| Molar Refractivity | 34.951399999999985 | RDKit |
