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Ethanol, 2,2′-[(3-Methylphenyl)Imino]Bis-, 1,1′-Diacetate
CAS: 21615-36-1 | C15H21NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21615-36-1
Molecular Formula:
C15H21NO4
Molecular Mass:
279.34 g/mol
Names and Synonyms:
Ethanol, 2,2′-[(3-Methylphenyl)Imino]Bis-, 1,1′-Diacetate
Ethanol, 2,2′-[(3-methylphenyl)imino]bis-, 1,1′-diacetate
Ethanol, 2,2′-(m-tolylimino)di-, diacetate (ester)
Ethanol, 2,2′-[(3-methylphenyl)imino]bis-, diacetate (ester)
Ethanol, 2,2′-(m-tolylimino)di-, diacetate
N,N-Bis(2-acetoxyethyl)-m-toluidine
N,N-Di(β-acetoxyethyl)-m-toluidine
N,N-Bis(acetoxyethyl)-m-toluidine
N,N-Bis(2-acetoxyethyl)-3-methylaniline
N,N-Bis(2-hydroxyethyl)-3-methylaniline diacetate
2,2′-((3-Methylphenyl)imino)bisethyl diacetate
Identifiers:
SMILES:
CC(=O)OCCN(CCOC(C)=O)c1cccc(C)c1
InChI:
InChI=1S/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3
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 | 279.34 g/mol | CAS Common Chemistry |
| 279.336 g/mol | RDKit | |
| 279.147058152 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCN(C1=CC=CC(=C1)C)CCOC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AHLUBQCOAONRMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanol, 2,2′-[(3-methylphenyl)imino]bis-, 1,1′-diacetate | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 |
| LogP | 1.9276199999999994 | RDKit |
| Molar Refractivity | 76.65800000000004 | RDKit |
