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4-(4-Aminophenyl)Morpholin-3-One
CAS: 438056-69-0 | C10H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
438056-69-0
Molecular Formula:
C10H12N2O2
Molecular Mass:
192.22 g/mol
Names and Synonyms:
4-(4-Aminophenyl)Morpholin-3-One
3-Morpholinone, 4-(4-aminophenyl)-
4-(4-Aminophenyl)-3-morpholinone
4-(3-Oxo-4-morpholinyl)aniline
4-(4-Aminophenyl)morpholin-3-one
N-4-Aminophenylmorpholin-3-one
Identifiers:
SMILES:
Nc1ccc(N2CCOCC2=O)cc1
InChI:
InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
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 | 192.22 g/mol | CAS Common Chemistry |
| 192.21800000000002 g/mol | RDKit | |
| 192.089877624 g/mol | RDKit | |
| Canonical SMILES | O=C1N(C2=CC=C(N)C=C2)CCOC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MHCRLDZZHOVFEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(4-Aminophenyl)morpholin-3-one | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.559999999999995 Ų | RDKit |
| LogP | 0.6319999999999997 | RDKit |
| Molar Refractivity | 54.026400000000024 | RDKit |
