Back to Search
Molecule
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
Identifiers
CAS Registry Number
13961-37-0
SMILES
CCC1CNCCN1
InChI Key
DXOHZOPKNFZZAD-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3
Names and Synonyms
- 2-Ethylpiperazine Systematic Name
- Piperazine, 2-ethyl- Synonym
- 2-Ethylpiperazine 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 | 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 |
| -0.0422 | RDKit | |
| Molar Refractivity | 34.951399999999985 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
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.
External Resources
Convert
Quick conversion
MW = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
