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1,11-Diamino-3,6,9-Trioxaundecane
CAS: 929-75-9 | C8H20N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
929-75-9
Molecular Formula:
C8H20N2O3
Molecular Mass:
192.26 g/mol
Names and Synonyms:
1,11-Diamino-3,6,9-Trioxaundecane
Ethanamine, 2,2′-[oxybis(2,1-ethanediyloxy)]bis-
Ethylamine, 2,2′-[oxybis(ethyleneoxy)]bis-
2,2′-[Oxybis(2,1-ethanediyloxy)]bis[ethanamine]
Tetraethylene glycol diamine
1,11-Diamino-3,6,9-trioxaundecane
3,6,9-Trioxaundecane-1,11-diamine
Jeffamine EDR 192
Bis[2-(2-aminoethoxy)ethyl] ether
EDR 192
1,11-Diamine-3,6,9-trioxaundecane
2,2′-[[Oxybis(ethane-2,1-diyl)]bis(oxy)]diethanamine
2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethanamine
2,2′-[Oxybis(2,1-ethanediyloxy)]diethanamine
2-[2-[2-[2-Aminoethoxy]ethoxy]ethoxy]ethylamine
Identifiers:
SMILES:
NCCOCCOCCOCCN
InChI:
InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2
Key Properties
Boiling Point
124-127 °C @ Press: 1.7 Torr
CAS Common Chemistry
Density
1.29 g/cm³
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 | 192.26 g/mol | CAS Common Chemistry |
| 192.25899999999996 g/mol | RDKit | |
| 192.1473925 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.2892 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 124-127 °C @ Press: 1.7 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CCOCCN)CCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NIQFAJBKEHPUAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,11-Diamino-3,6,9-trioxaundecane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.73 Ų | RDKit |
| LogP | -1.0463999999999978 | RDKit |
| Molar Refractivity | 50.56580000000004 | RDKit |
