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Molecule
1-[2-(Dimethylamino)Ethyl]Piperazine
CAS: 3644-18-6 · C8H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3644-18-6
- Molecular Formula
- C8H19N3
- Molecular Mass
- 157.26 g/mol
Identifiers
CAS Registry Number
3644-18-6
SMILES
CN(C)CCN1CCNCC1
InChI Key
LGDNSGSJKBIVFG-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N3/c1-10(2)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
Names and Synonyms
- 1-[2-(Dimethylamino)Ethyl]Piperazine Systematic Name
- 1-Piperazineethanamine, N,N-dimethyl- Synonym
- Piperazine, 1-[2-(dimethylamino)ethyl]- Synonym
- N,N-Dimethyl-1-piperazineethanamine Synonym
- 1-[2-(Dimethylamino)ethyl]piperazine Synonym
- N-[2-(N,N-Dimethylamino)ethyl]piperazine Synonym
- 4-[2-(Dimethylamino)ethyl]piperazine Synonym
- N,N-Dimethyl-2-piperazin-1-ylethanamine Synonym
- Dimethyl[2-(piperazin-1-yl)ethyl]amine Synonym
- N,N-Dimethyl-N-[2-(piperazin-1-yl)ethyl]amine Synonym
- N-(2-Dimethylaminoethyl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.26 g/mol | CAS Common Chemistry |
| 157.261 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9165 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | N1CCN(CC1)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N3/c1-10(2)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LGDNSGSJKBIVFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-[2-(Dimethylamino)ethyl]piperazine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.509999999999998 Ų | RDKit |
| 18.51 Ų | RDKit | |
| 18.05 Ų | chempirical lib | |
| LogP | -0.5467999999999991 | RDKit |
| -0.5468 | RDKit | |
| Molar Refractivity | 47.86370000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 157.15789760799998 g/mol | RDKit |
| Boiling Point | 94-95 °C @ 8 Torr | CAS Common Chemistry |
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
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 157.26 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19N3.
