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Poly(Ethylene Glycol) Bis(P-Dimethylaminobenzoate)
CAS: 71512-90-8 | C20H24N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71512-90-8
Molecular Formula:
C20H24N2O4
Molecular Mass:
356.42 g/mol
Names and Synonyms:
Poly(Ethylene Glycol) Bis(P-Dimethylaminobenzoate)
Poly(oxy-1,2-ethanediyl), α-[4-(dimethylamino)benzoyl]-ω-[[4-(dimethylamino)benzoyl]oxy]-
Poly(ethylene glycol) bis(p-dimethylaminobenzoate)
Omnipol ASA
ASA
Polyethylene glycol diester with p-dimethylaminobenzoic acid
Identifiers:
SMILES:
CN(C)c1ccc(C(=O)OCCOC(=O)c2ccc(N(C)C)cc2)cc1
InChI:
InChI=1S/C20H24N2O4/c1-21(2)17-9-5-15(6-10-17)19(23)25-13-14-26-20(24)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3
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 | 356.42 g/mol | CAS Common Chemistry |
| 356.422 g/mol | RDKit | |
| 356.173607248 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCOC(=O)C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H24N2O4/c1-21(2)17-9-5-15(6-10-17)19(23)25-13-14-26-20(24)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KSUPSOHASWEFBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(ethylene glycol) bis(p-dimethylaminobenzoate) | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.080000000000005 Ų | RDKit |
| LogP | 2.8324000000000016 | RDKit |
| Molar Refractivity | 102.10300000000004 | RDKit |
