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2,5-Diethoxy-4-(4-Morpholinyl)Benzenamine
CAS: 51963-82-7 | C14H22N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51963-82-7
Molecular Formula:
C14H22N2O3
Molecular Mass:
266.34 g/mol
Names and Synonyms:
2,5-Diethoxy-4-(4-Morpholinyl)Benzenamine
Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)-
2,5-Diethoxy-4-(4-morpholinyl)benzenamine
2,5-Diethoxy-4-morpholinoaniline
2,5-Diethoxy-4-morpholin-4-ylphenylamine
NSC 151969
2,5-Diethoxy-4-(morpholin-4-yl)aniline
2,5-Diethoxy-4-(4-morpholinyl)aniline
2,5-Diethoxy-4-morpholin-4-ylaniline
Identifiers:
SMILES:
CCOc1cc(N2CCOCC2)c(OCC)cc1N
InChI:
InChI=1S/C14H22N2O3/c1-3-18-13-10-12(16-5-7-17-8-6-16)14(19-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3
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 | 266.34 g/mol | CAS Common Chemistry |
| 266.34099999999995 g/mol | RDKit | |
| 266.163042564 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC(=C(OCC)C=C1N)N2CCOCC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H22N2O3/c1-3-18-13-10-12(16-5-7-17-8-6-16)14(19-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DDCBPJKVWMBNCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5-Diethoxy-4-(4-morpholinyl)benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.95 Ų | RDKit |
| LogP | 1.9027999999999998 | RDKit |
| Molar Refractivity | 76.22440000000003 | RDKit |
