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Tris(2-Ethylhexyl)Amine
CAS: 1860-26-0 | C24H51N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1860-26-0
Molecular Formula:
C24H51N
Molecular Mass:
353.68 g/mol
Names and Synonyms:
Tris(2-Ethylhexyl)Amine
1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-
Trihexylamine, 2,2′,2′′-triethyl-
2-Ethyl-N,N-bis(2-ethylhexyl)-1-hexanamine
Tris(2-ethylhexyl)amine
Tri(2-ethylhexyl)amine
TEHA
Identifiers:
SMILES:
CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC
InChI:
InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
Key Properties
Boiling Point
120-125 °C @ Press: 0.1 Torr
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 | 353.68 g/mol | CAS Common Chemistry |
| 353.67900000000014 g/mol | RDKit | |
| 353.402150632 g/mol | RDKit | |
| Boiling Point | 120-125 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | N(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BZUDVELGTZDOIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris(2-ethylhexyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 7.93760000000001 | RDKit |
| Molar Refractivity | 116.3580000000001 | RDKit |
