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Molecule
Ethanol, 2,2′-(Phenylimino)Bis-, 1,1′-Diacetate
CAS: 19249-34-4 · C14H19NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19249-34-4
- Molecular Formula
- C14H19NO4
- Molecular Mass
- 265.31 g/mol
Identifiers
CAS Registry Number
19249-34-4
SMILES
CC(=O)OCCN(CCOC(C)=O)c1ccccc1
InChI Key
XQGHEXBVXWBMGC-UHFFFAOYSA-N
InChI
InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
Names and Synonyms
- Ethanol, 2,2′-(Phenylimino)Bis-, 1,1′-Diacetate Systematic Name
- Ethanol, 2,2′-(phenylimino)bis-, 1,1′-diacetate Synonym
- Ethanol, 2,2′-(phenylimino)di-, diacetate (ester) Synonym
- Ethanol, 2,2′-(phenylimino)bis-, diacetate (ester) Synonym
- Ethanol, 2,2′-(phenylimino)di-, diacetate Synonym
- N,N-Bis(2-acetoxyethyl)aniline Synonym
- Bis(2-acetoxyethyl)aniline Synonym
- N,N-Bis(acetoxyethyl)aniline Synonym
- N,N-Bis(β-acetoxyethyl)aniline Synonym
- N,N-Di(β-acetoxyethyl)aniline Synonym
- N,N-Bis(2-acetyloxyethyl)aniline Synonym
- N,N-Di(2-acetoxyethyl)aniline Synonym
- Diacetyl-N-phenyldiethanolamine Synonym
- O,O′-Diacetyl-N-phenyldiethanolamine Synonym
- N,N-Bis(2-hydroxyethyl)aniline diacetate Synonym
- (Phenylazanediyl)bis(ethane-2,1-diyl) diacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.31 g/mol | CAS Common Chemistry |
| 265.309 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCN(C=1C=CC=CC1)CCOC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XQGHEXBVXWBMGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanol, 2,2′-(phenylimino)bis-, 1,1′-diacetate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.839999999999996 Ų | RDKit |
| 55.84 Ų | RDKit | |
| 55.61 Ų | chempirical lib | |
| LogP | 1.6191999999999995 | RDKit |
| 1.6192 | RDKit | |
| Molar Refractivity | 71.92100000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 265.131408088 g/mol | RDKit |
| Boiling Point | 177-180 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 265.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H19NO4.
