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Molecule
Tris(2-Ethylhexyl)Amine
CAS: 1860-26-0 · C24H51N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1860-26-0
- Molecular Formula
- C24H51N
- Molecular Mass
- 353.68 g/mol
Identifiers
CAS Registry Number
1860-26-0
SMILES
CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC
InChI Key
BZUDVELGTZDOIG-UHFFFAOYSA-N
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
Names and Synonyms
- Tris(2-Ethylhexyl)Amine Common Name
- 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)- Synonym
- Trihexylamine, 2,2′,2′′-triethyl- Synonym
- 2-Ethyl-N,N-bis(2-ethylhexyl)-1-hexanamine Synonym
- Tris(2-ethylhexyl)amine Synonym
- Tri(2-ethylhexyl)amine Synonym
- TEHA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.68 g/mol | CAS Common Chemistry |
| 353.67900000000014 g/mol | RDKit | |
| 353.679 g/mol | RDKit | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 7.93760000000001 | RDKit |
| 7.9376 | RDKit | |
| Molar Refractivity | 116.3580000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 353.402150632 g/mol | RDKit |
| Boiling Point | 120-125 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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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.
External Resources
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MW = 353.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H51N.
