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N,N,4-Trimethyl-1-Piperazineethanamine
CAS: 104-19-8 | C9H21N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104-19-8
Molecular Formula:
C9H21N3
Molecular Mass:
171.29 g/mol
Names and Synonyms:
N,N,4-Trimethyl-1-Piperazineethanamine
1-Piperazineethanamine, N,N,4-trimethyl-
Piperazine, 1-[2-(dimethylamino)ethyl]-4-methyl-
N,N,4-Trimethyl-1-piperazineethanamine
1-[2-(Dimethylamino)ethyl]-4-methylpiperazine
N-Methyl-N′-(dimethylaminoethyl)piperazine
N-Methyl-N′-(β-dimethylaminoethyl)piperazine
S 36081-3
Toyocat NP
Kaolizer 8
N-Methyl-N′-(N,N-dimethylaminoethyl)piperazine
NSC 79879
N,N,N′-Trimethylaminoethylpiperazine
KL 8
Jeffcat TR 52
N-Methyl-N′-(2-dimethylaminoethyl)piperazine
Jeffcat TAP
1-Methyl-4-[2-(dimethylamino)ethyl]piperazine
N-(2-Dimethylaminoethyl)-N′-methylpiperazine
Identifiers:
SMILES:
CN(C)CCN1CCN(C)CC1
InChI:
InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
Key Properties
Boiling Point
118-121 °C @ Press: 37 Torr
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 | 171.29 g/mol | CAS Common Chemistry |
| 171.28799999999998 g/mol | RDKit | |
| 171.17354767199998 g/mol | RDKit | |
| Boiling Point | 118-121 °C @ Press: 37 Torr | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCN1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XFLSMWXCZBIXLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,4-Trimethyl-1-piperazineethanamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| LogP | -0.204599999999999 | RDKit |
| Molar Refractivity | 52.49100000000004 | RDKit |
