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1,4-Bis(3′-Aminopropyl)Piperazine
CAS: 7209-38-3 | C10H24N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7209-38-3
Molecular Formula:
C10H24N4
Molecular Mass:
200.33 g/mol
Names and Synonyms:
1,4-Bis(3′-Aminopropyl)Piperazine
1,4-Piperazinedipropanamine
Piperazine, 1,4-bis(3-aminopropyl)-
N,N′-Bis(γ-aminopropyl)piperazine
N,N′-Bis(3-aminopropyl)piperazine
1,4-Piperazinebis(propylamine)
1,4-Bis(3-aminopropyl)piperazine
1,4-Piperazinedipropylamine
1,4-Bis(3′-aminopropyl)piperazine
1,4-(3-Aminopropyl)piperazine
[3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]amine
N,N′-Bis(N-aminopropyl)piperazine
Bis(3-aminopropyl)piperazine
Identifiers:
SMILES:
NCCCN1CCN(CCCN)CC1
InChI:
InChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2
Key Properties
Boiling Point
150-152 °C
CAS Common Chemistry
Melting Point
15 °C
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 | 200.33 g/mol | CAS Common Chemistry |
| 200.32999999999993 g/mol | RDKit | |
| 200.20009676799998 g/mol | RDKit | |
| Boiling Point | 150-152 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCN1CCN(CC1)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XUSNPFGLKGCWGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15 °C | CAS Common Chemistry |
| Name | 1,4-Bis(3′-aminopropyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.519999999999996 Ų | RDKit |
| LogP | -0.6983999999999977 | RDKit |
| Molar Refractivity | 60.222800000000035 | RDKit |
