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Molecule
(4-Aminophenyl)(Morpholino)Methanone
CAS: 51207-86-4 · C11H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 51207-86-4
- Molecular Formula
- C11H14N2O2
- Molecular Mass
- 206.25 g/mol
Identifiers
CAS Registry Number
51207-86-4
SMILES
Nc1ccc(C(=O)N2CCOCC2)cc1
InChI Key
WEHVQIQNGXWTME-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8,12H2
Names and Synonyms
- (4-Aminophenyl)(Morpholino)Methanone Common Name
- Methanone, (4-aminophenyl)-4-morpholinyl- Synonym
- Morpholine, 4-(4-aminobenzoyl)- Synonym
- (4-Aminophenyl)-4-morpholinylmethanone Synonym
- p-Aminobenzoylmorpholine Synonym
- 4-(p-Aminobenzoyl)morpholine Synonym
- N-(p-Aminobenzoyl)morpholine Synonym
- N-(4-Aminobenzoyl)morpholine Synonym
- 4-(4-Aminobenzoyl)morpholine Synonym
- 1-(4-Aminophenyl)-1-morpholin-4-ylmethanone Synonym
- (4-Aminophenyl)morpholin-4-ylmethanone Synonym
- 4-(4-Morpholinylcarbonyl)aniline Synonym
- (4-Aminophenyl)(morpholino)methanone Synonym
- N-[4-[(Morpholin-4-yl)carbonyl]phenyl]amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.25 g/mol | CAS Common Chemistry |
| 206.24499999999998 g/mol | RDKit | |
| 206.245 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(N)C=C1)N2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14N2O2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8,12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WEHVQIQNGXWTME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132-133 °C | CAS Common Chemistry |
| Name | (4-Aminophenyl)(morpholino)methanone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.56 Ų | RDKit |
| 55.33 Ų | chempirical lib | |
| LogP | 0.7411999999999999 | RDKit |
| 0.7412 | RDKit | |
| Molar Refractivity | 57.57690000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 206.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 206.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14N2O2.
