Back to Search
3-[(2-Ethylhexyl)Oxy]-1-Propanamine
CAS: 5397-31-9 | C11H25NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5397-31-9
Molecular Formula:
C11H25NO
Molecular Mass:
187.33 g/mol
Names and Synonyms:
3-[(2-Ethylhexyl)Oxy]-1-Propanamine
1-Propanamine, 3-[(2-ethylhexyl)oxy]-
Propylamine, 3-[(2-ethylhexyl)oxy]-
3-[(2-Ethylhexyl)oxy]-1-propanamine
2-Ethylhexyl 3-aminopropyl ether
3-(2-Ethylhexoxy)propylamine
3-(2-Ethylhexyloxy)propylamine
3-(2-Ethylhexyloxy)-1-propanamine
3-Aminopropyl 2-ethylhexyl ether
PA 12EH
NSC 1078
Tomamine PA 12EH
2-Ethylhexyloxypropylamine
Identifiers:
SMILES:
CCCCC(CC)COCCCN
InChI:
InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
Key Properties
Boiling Point
74-77 °C @ Press: 0.5 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 | 187.33 g/mol | CAS Common Chemistry |
| 187.32699999999994 g/mol | RDKit | |
| 187.19361442 g/mol | RDKit | |
| Boiling Point | 74-77 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CCCN)CC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DVFGEIYOLIFSRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-[(2-Ethylhexyl)oxy]-1-propanamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 2.5682 | RDKit |
| Molar Refractivity | 57.79640000000005 | RDKit |
