Back to Search
Tris(2-Aminoethyl)Amine
CAS: 4097-89-6 | C6H18N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4097-89-6
Molecular Formula:
C6H18N4
Molecular Weight:
146.238 g/mol
Names and Synonyms:
Tris(2-Aminoethyl)Amine
3-(2-Aminoethyl)-3-aza-pentane-1,5-diamine
T 1243
Nitrilotriethylamine
2,2′,2′′-Tris(2-aminoethyl)amine
Tris(β-aminoethyl)amine
N,N,N-Tris(2-aminoethyl)amine
Tren-HP
4-(2-Aminoethyl)diethylenetriamine
N,N-Bis(2-aminoethyl)-1,2-ethanediamine
Tren
N,N-Bis(2-aminoethyl)ethylenediamine
Nitrilotris(ethylamine)
Tri(2-aminoethyl)amine
4-(3-Azapropyl)-1,4,7-triazaheptane
2,2′,2′′-Triaminotriethylamine
β,β′,β′′-Triaminotriethylamine
Tris(2-aminoethyl)amine
Ethanamine, 2,2′,2′′-nitrilotris-
Tris(aminoethyl)amine
2,2′,2′′-Triaminotris(ethylamine)
2,2′,2′′-Nitrilotris[ethylamine]
N1,N1-Bis(2-aminoethyl)-1,2-ethanediamine
1,2-Ethanediamine, N,N-bis(2-aminoethyl)-
Diethylenetriamine, 4-(2-aminoethyl)-
1,2-Ethanediamine, N1,N1-bis(2-aminoethyl)-
Identifiers:
SMILES:
NCCN(CCN)CCN
InChI:
InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 146.24 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tris(2-aminoethyl)amine None | Legacy Database |
| cas-boiling-point | 96-99 °C None | Legacy Database |
| cas-canonical-smile | NCCN(CCN)CCN None | Legacy Database |
| cas-inchi | InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MBYLVOKEDDQJDY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Tris(2-aminoethyl)amine None | Legacy Database |
| wikipedia-name | Tris(2-aminoethyl)amine None | Legacy Database |
| LogP | -1.835499999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.238 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.15314657599998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 81.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.60320000000001 | RDKit |
