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Molecule
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
Identifiers
CAS Registry Number
51963-82-7
SMILES
CCOc1cc(N2CCOCC2)c(OCC)cc1N
InChI Key
DDCBPJKVWMBNCC-UHFFFAOYSA-N
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
Names and Synonyms
- 2,5-Diethoxy-4-(4-Morpholinyl)Benzenamine Systematic Name
- Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)- Synonym
- 2,5-Diethoxy-4-(4-morpholinyl)benzenamine Synonym
- 2,5-Diethoxy-4-morpholinoaniline Synonym
- 2,5-Diethoxy-4-morpholin-4-ylphenylamine Synonym
- NSC 151969 Synonym
- 2,5-Diethoxy-4-(morpholin-4-yl)aniline Synonym
- 2,5-Diethoxy-4-(4-morpholinyl)aniline Synonym
- 2,5-Diethoxy-4-morpholin-4-ylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.34 g/mol | CAS Common Chemistry |
| 266.34099999999995 g/mol | RDKit | |
| 266.341 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 |
| 56.72 Ų | chempirical lib | |
| LogP | 1.9027999999999998 | RDKit |
| 1.9028 | RDKit | |
| Molar Refractivity | 76.22440000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 266.163042564 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 266.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H22N2O3.
