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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
Names and Synonyms:
1-[2-(Dimethylamino)Ethyl]Piperazine
1-Piperazineethanamine, N,N-dimethyl-
Piperazine, 1-[2-(dimethylamino)ethyl]-
N,N-Dimethyl-1-piperazineethanamine
1-[2-(Dimethylamino)ethyl]piperazine
N-[2-(N,N-Dimethylamino)ethyl]piperazine
4-[2-(Dimethylamino)ethyl]piperazine
N,N-Dimethyl-2-piperazin-1-ylethanamine
Dimethyl[2-(piperazin-1-yl)ethyl]amine
N,N-Dimethyl-N-[2-(piperazin-1-yl)ethyl]amine
N-(2-Dimethylaminoethyl)piperazine
Identifiers:
SMILES:
CN(C)CCN1CCNCC1
InChI:
InChI=1S/C8H19N3/c1-10(2)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
Key Properties
Boiling Point
94-95 °C @ Press: 8 Torr
CAS Common Chemistry
Density
0.92 g/cm³
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 | 157.26 g/mol | CAS Common Chemistry |
| 157.261 g/mol | RDKit | |
| 157.15789760799998 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9165 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 94-95 °C @ Press: 8 Torr | 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 |
| LogP | -0.5467999999999991 | RDKit |
| Molar Refractivity | 47.86370000000002 | RDKit |
