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Molecule
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
Identifiers
CAS Registry Number
7209-38-3
SMILES
NCCCN1CCN(CCCN)CC1
InChI Key
XUSNPFGLKGCWGN-UHFFFAOYSA-N
InChI
InChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2
Names and Synonyms
- 1,4-Bis(3′-Aminopropyl)Piperazine Synonym
- 1,4-Piperazinedipropanamine Synonym
- Piperazine, 1,4-bis(3-aminopropyl)- Synonym
- N,N′-Bis(γ-aminopropyl)piperazine Synonym
- N,N′-Bis(3-aminopropyl)piperazine Synonym
- 1,4-Piperazinebis(propylamine) Synonym
- 1,4-Bis(3-aminopropyl)piperazine Synonym
- 1,4-Piperazinedipropylamine Synonym
- 1,4-Bis(3′-aminopropyl)piperazine Synonym
- 1,4-(3-Aminopropyl)piperazine Synonym
- [3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]amine Synonym
- N,N′-Bis(N-aminopropyl)piperazine Synonym
- Bis(3-aminopropyl)piperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.33 g/mol | CAS Common Chemistry |
| 200.32999999999993 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 |
| 58.52 Ų | RDKit | |
| 58.06 Ų | chempirical lib | |
| LogP | -0.6983999999999977 | RDKit |
| -0.6984 | RDKit | |
| Molar Refractivity | 60.222800000000035 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 200.20009676799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 200.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H24N4.
