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Molecule
Poly(oxy-1,2-ethanediyl), α-[4-(dimethylamino)benzoyl]-ω-[[4-(dimethylamino)benzoyl]oxy]-
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
Identifiers
CAS Registry Number
71512-90-8
SMILES
CN(C)c1ccc(C(=O)OCCOC(=O)c2ccc(N(C)C)cc2)cc1
InChI Key
KSUPSOHASWEFBX-UHFFFAOYSA-N
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
Names and Synonyms
- Poly(oxy-1,2-ethanediyl), α-[4-(dimethylamino)benzoyl]-ω-[[4-(dimethylamino)benzoyl]oxy]- Synonym
- Poly(Ethylene Glycol) Bis(P-Dimethylaminobenzoate) Synonym
- Poly(ethylene glycol) bis(p-dimethylaminobenzoate) Synonym
- Omnipol ASA Synonym
- ASA Synonym
- Polyethylene glycol diester with p-dimethylaminobenzoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.42 g/mol | CAS Common Chemistry |
| 356.422 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 |
| 59.08 Ų | RDKit | |
| 58.62 Ų | chempirical lib | |
| LogP | 2.8324000000000016 | RDKit |
| 2.8324 | RDKit | |
| 2.94 | chempirical lib | |
| Molar Refractivity | 102.10300000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 356.173607248 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 356.42 g/mol. Edit any field — others recompute live.
