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Aminoethylpiperazine
CAS: 140-31-8 | C6H15N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-31-8
Molecular Formula:
C6H15N3
Molecular Weight:
129.207 g/mol
Names and Synonyms:
Aminoethylpiperazine
1-Piperazineethanamine
Piperazine, 1-(2-aminoethyl)-
N-(β-Aminoethyl)piperazine
1-(2-Aminoethyl)piperazine
N-(2-Aminoethyl)piperazine
1-Piperazineethylamine
2-Piperazinylethylamine
4-(2-Aminoethyl)piperazine
1-(β-Aminoethyl)piperazine
AEP
2-(1-Piperazinyl)ethylamine
Ancamine AEP
2-(1-Piperazinyl)ethanamine
N-AEP
NSC 38968
Epikure 3202
Epicure 3200
2-(Piperazinyl-1-yl)ethanamine
2-(Piperazin-1-yl)ethaneamine
2-(Piperazin-1-yl)ethan-1-amine
Identifiers:
SMILES:
NCCN1CCNCC1
InChI:
InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.21 g/mol | Legacy Database |
| density | 0.98 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aminoethylpiperazine None | Legacy Database |
| cas-boiling-point | 222 °C None | Legacy Database |
| cas-canonical-smile | NCCN1CCNCC1 None | Legacy Database |
| cas-density | 0.9837 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=IMUDHTPIFIBORV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Piperazineethanamine None | Legacy Database |
| wikipedia-name | Aminoethylpiperazine None | Legacy Database |
| LogP | -1.1496999999999988 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.207 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.12659748 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 41.29 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.36410000000001 | RDKit |
