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4-(4-Nitrophenyl)Morpholine
CAS: 10389-51-2 | C10H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10389-51-2
Molecular Formula:
C10H12N2O3
Molecular Mass:
208.22 g/mol
Names and Synonyms:
4-(4-Nitrophenyl)Morpholine
Morpholine, 4-(4-nitrophenyl)-
Morpholine, 4-(p-nitrophenyl)-
4-(4-Nitrophenyl)morpholine
p-Morpholinonitrobenzene
4-(p-Nitrophenyl)morpholine
NSC 27271
4-Morpholinonitrobenzene
N-(4-Nitrophenyl)morpholine
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N2CCOCC2)cc1
InChI:
InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
Key Properties
Melting Point
149-150 °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
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 | 208.22 g/mol | CAS Common Chemistry |
| 208.21699999999996 g/mol | RDKit | |
| 208.084792244 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(C=C1)N2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IAJDSUYFELYZCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149-150 °C | CAS Common Chemistry |
| Name | 4-(4-Nitrophenyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.61 Ų | RDKit |
| LogP | 1.4314 | RDKit |
| Molar Refractivity | 56.12840000000003 | RDKit |
