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N,N-Dimethyl-1-Piperazinepropanamine
CAS: 877-96-3 | C9H21N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
877-96-3
Molecular Formula:
C9H21N3
Molecular Mass:
171.29 g/mol
Names and Synonyms:
N,N-Dimethyl-1-Piperazinepropanamine
1-Piperazinepropanamine, N,N-dimethyl-
Piperazine, 1-[3-(dimethylamino)propyl]-
N,N-Dimethyl-1-piperazinepropanamine
1-[3-(Dimethylamino)propyl]piperazine
4-(3-(Dimethylamino)propyl)piperazine
N,N-Dimethyl-3-(piperazin-1-yl)propan-1-amine
Dimethyl(3-piperazin-1-ylpropyl)amine
Identifiers:
SMILES:
CN(C)CCCN1CCNCC1
InChI:
InChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
Key Properties
Boiling Point
96-101 °C @ Press: 6 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 | 96-101 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | N1CCN(CC1)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YJRGRZJKGMBHIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethyl-1-piperazinepropanamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.509999999999998 Ų | RDKit |
| LogP | -0.1566999999999994 | RDKit |
| Molar Refractivity | 52.480700000000034 | RDKit |
