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1-(3-Aminopropyl)-4-Methylpiperazine
CAS: 4572-03-6 | C8H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4572-03-6
Molecular Formula:
C8H19N3
Molecular Mass:
157.26 g/mol
Names and Synonyms:
1-(3-Aminopropyl)-4-Methylpiperazine
1-Piperazinepropanamine, 4-methyl-
Piperazine, 1-(3-aminopropyl)-4-methyl-
4-Methyl-1-piperazinepropanamine
1-(3-Aminopropyl)-4-methylpiperazine
N-Methyl-N′-(γ-aminopropyl)piperazine
3-(4-Methyl-1-piperazinyl)propylamine
N-Methyl-N′-(3-aminopropyl)piperazine
4-(3-Aminopropyl)-1-methylpiperazine
3-(4-Methylpiperazino)propylamine
NSC 60215
3-(4-Methylpiperazin-1-yl)propan-1-amine
N-[3-(4-Methyl-1-piperazinyl)propyl]amine
1-Methyl-4-(3-aminopropyl)piperazine
3-(4-Methylpiperazin-1-yl)propanamine
Identifiers:
SMILES:
CN1CCN(CCCN)CC1
InChI:
InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3
Key Properties
Boiling Point
52 °C @ Press: 0.3 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 | 157.26 g/mol | CAS Common Chemistry |
| 157.26099999999997 g/mol | RDKit | |
| 157.15789760799998 g/mol | RDKit | |
| Boiling Point | 52 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCCN1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RGUABPVONIGVAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(3-Aminopropyl)-4-methylpiperazine | 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 | 32.5 Ų | RDKit |
| LogP | -0.41739999999999844 | RDKit |
| Molar Refractivity | 47.60840000000002 | RDKit |
