Back to Search
Bis(2-Ethylhexyl)Amine
CAS: 106-20-7 | C16H35N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-20-7
Molecular Formula:
C16H35N
Molecular Mass:
241.46 g/mol
Names and Synonyms:
Bis(2-Ethylhexyl)Amine
1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-
Dihexylamine, 2,2′-diethyl-
2-Ethyl-N-(2-ethylhexyl)-1-hexanamine
Di(2-ethylhexyl)amine
Bis(2-ethylhexyl)amine
2,2′-Diethyldihexylamine
NSC 5329
N,N-Bis(2-ethylhexyl)amine
N,N-Di(2-ethylhexyl)amine
Identifiers:
SMILES:
CCCCC(CC)CNCC(CC)CCCC
InChI:
InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
Key Properties
Boiling Point
126 °C @ Press: 4.0 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 | 241.46 g/mol | CAS Common Chemistry |
| 241.46299999999994 g/mol | RDKit | |
| 241.27695012 g/mol | RDKit | |
| Boiling Point | 126 °C @ Press: 4.0 Torr | CAS Common Chemistry |
| Canonical SMILES | N(CC(CC)CCCC)CC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SAIKULLUBZKPDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2-ethylhexyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 5.008800000000004 | RDKit |
| Molar Refractivity | 79.48170000000007 | RDKit |
