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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 Mass:
146.24 g/mol
Names and Synonyms:
Tris(2-Aminoethyl)Amine
1,2-Ethanediamine, N1,N1-bis(2-aminoethyl)-
Diethylenetriamine, 4-(2-aminoethyl)-
1,2-Ethanediamine, N,N-bis(2-aminoethyl)-
N1,N1-Bis(2-aminoethyl)-1,2-ethanediamine
2,2′,2′′-Nitrilotris[ethylamine]
2,2′,2′′-Triaminotris(ethylamine)
Tris(aminoethyl)amine
Ethanamine, 2,2′,2′′-nitrilotris-
Tris(2-aminoethyl)amine
β,β′,β′′-Triaminotriethylamine
2,2′,2′′-Triaminotriethylamine
4-(3-Azapropyl)-1,4,7-triazaheptane
Tri(2-aminoethyl)amine
Nitrilotris(ethylamine)
N,N-Bis(2-aminoethyl)ethylenediamine
Tren
N,N-Bis(2-aminoethyl)-1,2-ethanediamine
4-(2-Aminoethyl)diethylenetriamine
Tren-HP
N,N,N-Tris(2-aminoethyl)amine
Tris(β-aminoethyl)amine
2,2′,2′′-Tris(2-aminoethyl)amine
Nitrilotriethylamine
T 1243
3-(2-Aminoethyl)-3-aza-pentane-1,5-diamine
Identifiers:
SMILES:
NCCN(CCN)CCN
InChI:
InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
Key Properties
Boiling Point
96-99 °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 | 146.24 g/mol | CAS Common Chemistry |
| 146.238 g/mol | RDKit | |
| 146.15314657599998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(2-aminoethyl)amine | CAS Common Chemistry |
| Boiling Point | 96-99 °C | CAS Common Chemistry |
| Canonical SMILES | NCCN(CCN)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MBYLVOKEDDQJDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris(2-aminoethyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 81.3 Ų | RDKit |
| LogP | -1.835499999999998 | RDKit |
| Molar Refractivity | 43.60320000000001 | RDKit |
