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1,1-Dimethylethyl 3-[2-(2-Aminoethoxy)Ethoxy]Propanoate
CAS: 756525-95-8 | C11H23NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
756525-95-8
Molecular Formula:
C11H23NO4
Molecular Mass:
233.31 g/mol
Names and Synonyms:
1,1-Dimethylethyl 3-[2-(2-Aminoethoxy)Ethoxy]Propanoate
Propanoic acid, 3-[2-(2-aminoethoxy)ethoxy]-, 1,1-dimethylethyl ester
1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate
tert-Butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate
tert-Butyl 9-amino-4,7-dioxanonanoate
Amino-PEG2-t-butyl ester
Identifiers:
SMILES:
CC(C)(C)OC(=O)CCOCCOCCN
InChI:
InChI=1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3
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 | 233.31 g/mol | CAS Common Chemistry |
| 233.3079999999999 g/mol | RDKit | |
| 233.162708216 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)CCOCCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XIVHGTLMLORWEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.78 Ų | RDKit |
| LogP | 0.7101000000000001 | RDKit |
| Molar Refractivity | 61.154400000000045 | RDKit |
