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Polyethylene Glycol 2-Aminoethyl Ether
CAS: 32130-27-1 | C4H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32130-27-1
Molecular Formula:
C4H11NO2
Molecular Weight:
105.13699999999999 g/mol
Names and Synonyms:
Polyethylene Glycol 2-Aminoethyl Ether
O-(2-Aminoethyl)polyethylene glycol
Monoamine-terminated polyethylene glycol
α-Amino-ω-hydroxypolyoxyethylene
Monoamino-terminated polyethylene glycol
Mapeg 7
Polyethylene glycol mono(2-aminoethyl) ether
Polyoxyethylene monoamine
AEP 22
Polyethylene glycol 2-aminoethyl ether
α-Hydro-ω-(2-aminoethoxy)poly(oxy-1,2-ethanediyl)
α-(Aminoethyl)-ω-hydroxy-poly(oxy-1,2-ethanediyl)
α-(2-Aminoethyl)-ω-hydroxypoly(oxyethylene)
Polyethylene glycol monoethanolamine ether
Poly(oxy-1,2-ethanediyl), α-(2-aminoethyl)-ω-hydroxy-
Identifiers:
SMILES:
NCCOCCO
InChI:
InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
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
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 55.480000000000004 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0460000000000003 | RDKit |
| molecular_mass | 105.14 g/mol | Legacy Database |
| cas-canonical-smile | OCCOCCN None | Legacy Database |
| cas-inchi | InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GIAFURWZWWWBQT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Polyethylene glycol 2-aminoethyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.959199999999992 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 105.13699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 105.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
