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Molecule
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 Mass
- 129.21 g/mol
Identifiers
CAS Registry Number
140-31-8
SMILES
NCCN1CCNCC1
InChI Key
IMUDHTPIFIBORV-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
Names and Synonyms
- Aminoethylpiperazine Synonym
- 1-Piperazineethanamine Synonym
- Piperazine, 1-(2-aminoethyl)- Synonym
- N-(β-Aminoethyl)piperazine Synonym
- 1-(2-Aminoethyl)piperazine Synonym
- N-(2-Aminoethyl)piperazine Synonym
- 1-Piperazineethylamine Synonym
- 2-Piperazinylethylamine Synonym
- 4-(2-Aminoethyl)piperazine Synonym
- 1-(β-Aminoethyl)piperazine Synonym
- AEP Synonym
- 2-(1-Piperazinyl)ethylamine Synonym
- Ancamine AEP Synonym
- 2-(1-Piperazinyl)ethanamine Synonym
- N-AEP Synonym
- NSC 38968 Synonym
- Epikure 3202 Synonym
- Epicure 3200 Synonym
- 2-(Piperazinyl-1-yl)ethanamine Synonym
- 2-(Piperazin-1-yl)ethaneamine Synonym
- 2-(Piperazin-1-yl)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.21 g/mol | CAS Common Chemistry |
| 129.207 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9837 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aminoethylpiperazine | CAS Common Chemistry |
| Boiling Point | 222 °C | CAS Common Chemistry |
| Canonical SMILES | NCCN1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IMUDHTPIFIBORV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Piperazineethanamine | CAS Common Chemistry |
| Aminoethylpiperazine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.29 Ų | RDKit |
| 41.06 Ų | chempirical lib | |
| LogP | -1.1496999999999988 | RDKit |
| -1.1497 | RDKit | |
| Molar Refractivity | 38.36410000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 129.12659748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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
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Quick conversion
MW = 129.21 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15N3.
