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(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
Names and Synonyms:
(4-Aminophenyl)(Morpholino)Methanone
Methanone, (4-aminophenyl)-4-morpholinyl-
Morpholine, 4-(4-aminobenzoyl)-
(4-Aminophenyl)-4-morpholinylmethanone
p-Aminobenzoylmorpholine
4-(p-Aminobenzoyl)morpholine
N-(p-Aminobenzoyl)morpholine
N-(4-Aminobenzoyl)morpholine
4-(4-Aminobenzoyl)morpholine
1-(4-Aminophenyl)-1-morpholin-4-ylmethanone
(4-Aminophenyl)morpholin-4-ylmethanone
4-(4-Morpholinylcarbonyl)aniline
(4-Aminophenyl)(morpholino)methanone
N-[4-[(Morpholin-4-yl)carbonyl]phenyl]amine
Identifiers:
SMILES:
Nc1ccc(C(=O)N2CCOCC2)cc1
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
Key Properties
Melting Point
132-133 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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 | 206.25 g/mol | CAS Common Chemistry |
| 206.24499999999998 g/mol | RDKit | |
| 206.105527688 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 |
| LogP | 0.7411999999999999 | RDKit |
| Molar Refractivity | 57.57690000000002 | RDKit |
