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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
Identifiers
CAS Registry Number
4097-89-6
SMILES
NCCN(CCN)CCN
InChI Key
MBYLVOKEDDQJDY-UHFFFAOYSA-N
InChI
InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
Names and Synonyms
- Tris(2-Aminoethyl)Amine Common Name
- 1,2-Ethanediamine, N1,N1-bis(2-aminoethyl)- Synonym
- Diethylenetriamine, 4-(2-aminoethyl)- Synonym
- 1,2-Ethanediamine, N,N-bis(2-aminoethyl)- Synonym
- N1,N1-Bis(2-aminoethyl)-1,2-ethanediamine Synonym
- 2,2′,2′′-Nitrilotris[ethylamine] Synonym
- 2,2′,2′′-Triaminotris(ethylamine) Synonym
- Tris(aminoethyl)amine Synonym
- Ethanamine, 2,2′,2′′-nitrilotris- Synonym
- Tris(2-aminoethyl)amine Synonym
- β,β′,β′′-Triaminotriethylamine Synonym
- 2,2′,2′′-Triaminotriethylamine Synonym
- 4-(3-Azapropyl)-1,4,7-triazaheptane Synonym
- Tri(2-aminoethyl)amine Synonym
- Nitrilotris(ethylamine) Synonym
- N,N-Bis(2-aminoethyl)ethylenediamine Synonym
- Tren Synonym
- N,N-Bis(2-aminoethyl)-1,2-ethanediamine Synonym
- 4-(2-Aminoethyl)diethylenetriamine Synonym
- Tren-HP Synonym
- N,N,N-Tris(2-aminoethyl)amine Synonym
- Tris(β-aminoethyl)amine Synonym
- 2,2′,2′′-Tris(2-aminoethyl)amine Synonym
- Nitrilotriethylamine Synonym
- T 1243 Synonym
- 3-(2-Aminoethyl)-3-aza-pentane-1,5-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.24 g/mol | CAS Common Chemistry |
| 146.238 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 |
| 81.07 Ų | chempirical lib | |
| LogP | -1.835499999999998 | RDKit |
| -1.8355 | RDKit | |
| Molar Refractivity | 43.60320000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 146.15314657599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
