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2-[2-(2-Aminoethoxy)Ethoxy]Ethanol
CAS: 6338-55-2 | C6H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6338-55-2
Molecular Formula:
C6H15NO3
Molecular Weight:
149.19 g/mol
Names and Synonyms:
2-[2-(2-Aminoethoxy)Ethoxy]Ethanol
2-[2-(2-Aminoethoxy)ethoxy]ethan-1-ol
3,6,9-Trioxadecylamine
2-[2-(2-Hydroxyethoxy)ethoxy]ethylamine
8-Amino-3,6-dioxaoctanol
NSC 40760
MA 10
Triglycolamine
8-Amino-3,6-dioxa-1-octanol
T3EGMA
Triethylene glycol monoamine
2-[2-(2-Aminoethoxy)ethoxy]ethanol
Ethanol, 2-[2-(2-aminoethoxy)ethoxy]-
Identifiers:
SMILES:
NCCOCCOCCO
InChI:
InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.19 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.10519334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 64.71000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0294 | RDKit |
| molecular_mass | 149.19 g/mol | Legacy Database |
| density | 1.08 g/cm³ | Legacy Database |
| cas-boiling-point | 120-130 °C @ Press: 4 Torr None | Legacy Database |
| cas-canonical-smile | OCCOCCOCCN None | Legacy Database |
| cas-density | 1.0773 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=ASDQMECUMYIVBG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-[2-(2-Aminoethoxy)ethoxy]ethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.778200000000005 | RDKit |
