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Molecule
4-(4-Nitrophenyl)Morpholine
CAS: 10389-51-2 · C10H12N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10389-51-2
- Molecular Formula
- C10H12N2O3
- Molecular Mass
- 208.22 g/mol
Identifiers
CAS Registry Number
10389-51-2
SMILES
O=[N+]([O-])c1ccc(N2CCOCC2)cc1
InChI Key
IAJDSUYFELYZCS-UHFFFAOYSA-N
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
Names and Synonyms
- 4-(4-Nitrophenyl)Morpholine Synonym
- Morpholine, 4-(4-nitrophenyl)- Synonym
- Morpholine, 4-(p-nitrophenyl)- Synonym
- 4-(4-Nitrophenyl)morpholine Synonym
- p-Morpholinonitrobenzene Synonym
- 4-(p-Nitrophenyl)morpholine Synonym
- NSC 27271 Synonym
- 4-Morpholinonitrobenzene Synonym
- N-(4-Nitrophenyl)morpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.22 g/mol | CAS Common Chemistry |
| 208.21699999999996 g/mol | RDKit | |
| 208.217 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 |
| 50.54 Ų | chempirical lib | |
| LogP | 1.4314 | RDKit |
| Molar Refractivity | 56.12840000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 208.084792244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 208.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12N2O3.
