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N,N′-Bis(3-Aminopropyl)Ethylenediamine
CAS: 10563-26-5 | C8H22N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10563-26-5
Molecular Formula:
C8H22N4
Molecular Mass:
174.29 g/mol
Names and Synonyms:
N,N′-Bis(3-Aminopropyl)Ethylenediamine
1,3-Propanediamine, N1,N1′-1,2-ethanediylbis-
1,3-Propanediamine, N,N′′-ethylenebis-
1,3-Propanediamine, N,N′′-1,2-ethanediylbis-
N,N′-Bis(3-aminopropyl)-1,2-diaminoethane
1,5,8,12-Tetraazadodecane
N,N′-Bis(3-aminopropyl)ethylenediamine
4,7-Diazadecane-1,10-diamine
Bis(3-aminopropyl)ethylenediamine
1,2-Bis(3-aminopropyl)ethylenediamine
1,10-Diamino-4,7-diazadecane
N,N′-Diaminopropylethylenediamine
N,N′-Bis(3-aminopropyl)diaminoethane
N,N′-Bis(3-aminopropyl)-1,2-ethanediamine
N4 Amine
N-[2-(3-Aminopropylamino)ethyl]-1,3-propanediamine
3,2,3-Tet
NSC 180823
N,N′-Di(3-aminopropyl)-1,2-ethylenediamine
1,2-Bis(3-aminopropylamino)ethane
N,N′-Ethane-1,2-diylbis(1,3-propanediamine)
N,N′′-1,2-Ethanediylbis(1,3-propandiamine)
N,N-1,2-Ethanediylbis-1,3-propanediamine
Rhodoline Hd-N 4
Identifiers:
SMILES:
NCCCNCCNCCCN
InChI:
InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
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 | 174.29 g/mol | CAS Common Chemistry |
| 174.29199999999994 g/mol | RDKit | |
| 174.18444670399998 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 |
| Molar Refractivity | 53.082200000000036 | RDKit |
