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Molecule
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
Identifiers
CAS Registry Number
929-75-9
SMILES
NCCOCCOCCOCCN
InChI Key
NIQFAJBKEHPUAM-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2
Names and Synonyms
- 1,11-Diamino-3,6,9-Trioxaundecane Synonym
- Ethanamine, 2,2′-[oxybis(2,1-ethanediyloxy)]bis- Synonym
- Ethylamine, 2,2′-[oxybis(ethyleneoxy)]bis- Synonym
- 2,2′-[Oxybis(2,1-ethanediyloxy)]bis[ethanamine] Synonym
- Tetraethylene glycol diamine Synonym
- 1,11-Diamino-3,6,9-trioxaundecane Synonym
- 3,6,9-Trioxaundecane-1,11-diamine Synonym
- Jeffamine EDR 192 Synonym
- Bis[2-(2-aminoethoxy)ethyl] ether Synonym
- EDR 192 Synonym
- 1,11-Diamine-3,6,9-trioxaundecane Synonym
- 2,2′-[[Oxybis(ethane-2,1-diyl)]bis(oxy)]diethanamine Synonym
- 2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethanamine Synonym
- 2,2′-[Oxybis(2,1-ethanediyloxy)]diethanamine Synonym
- 2-[2-[2-[2-Aminoethoxy]ethoxy]ethoxy]ethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.26 g/mol | CAS Common Chemistry |
| 192.25899999999996 g/mol | RDKit | |
| 192.259 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.2892 g/cm3 @ 20 °C | 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 |
| -1.0464 | RDKit | |
| Molar Refractivity | 50.56580000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 192.1473925 g/mol | RDKit |
| Boiling Point | 124-127 °C @ 1.7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 192.26 g/mol; density = 1.290 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H20N2O3.
