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Molecule
N,N′-Bis(3-Aminopropyl)Ethylenediamine
CAS: 10563-26-5 · C8H22N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10563-26-5
- Molecular Formula
- C8H22N4
- Molecular Mass
- 174.29 g/mol
Identifiers
CAS Registry Number
10563-26-5
SMILES
NCCCNCCNCCCN
InChI Key
RXFCIXRFAJRBSG-UHFFFAOYSA-N
InChI
InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
Names and Synonyms
- N,N′-Bis(3-Aminopropyl)Ethylenediamine Systematic Name
- 1,3-Propanediamine, N1,N1′-1,2-ethanediylbis- Synonym
- 1,3-Propanediamine, N,N′′-ethylenebis- Synonym
- 1,3-Propanediamine, N,N′′-1,2-ethanediylbis- Synonym
- N,N′-Bis(3-aminopropyl)-1,2-diaminoethane Synonym
- 1,5,8,12-Tetraazadodecane Synonym
- N,N′-Bis(3-aminopropyl)ethylenediamine Synonym
- 4,7-Diazadecane-1,10-diamine Synonym
- Bis(3-aminopropyl)ethylenediamine Synonym
- 1,2-Bis(3-aminopropyl)ethylenediamine Synonym
- 1,10-Diamino-4,7-diazadecane Synonym
- N,N′-Diaminopropylethylenediamine Synonym
- N,N′-Bis(3-aminopropyl)diaminoethane Synonym
- N,N′-Bis(3-aminopropyl)-1,2-ethanediamine Synonym
- N4 Amine Synonym
- N-[2-(3-Aminopropylamino)ethyl]-1,3-propanediamine Synonym
- 3,2,3-Tet Synonym
- NSC 180823 Synonym
- N,N′-Di(3-aminopropyl)-1,2-ethylenediamine Synonym
- 1,2-Bis(3-aminopropylamino)ethane Synonym
- N,N′-Ethane-1,2-diylbis(1,3-propanediamine) Synonym
- N,N′′-1,2-Ethanediylbis(1,3-propandiamine) Synonym
- N,N-1,2-Ethanediylbis-1,3-propanediamine Synonym
- Rhodoline Hd-N 4 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.29 g/mol | CAS Common Chemistry |
| 174.29199999999994 g/mol | RDKit | |
| 174.292 g/mol | RDKit | |
| Canonical SMILES | NCCCNCCNCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RXFCIXRFAJRBSG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N′-Bis(3-aminopropyl)ethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.1 Ų | RDKit |
| LogP | -1.1367999999999974 | RDKit |
| -1.1368 | RDKit | |
| Molar Refractivity | 53.082200000000036 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 174.18444670399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 174.29 g/mol. Edit any field — others recompute live.
