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Molecule
4-Morpholinoaniline
CAS: 2524-67-6 · C10H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2524-67-6
- Molecular Formula
- C10H14N2O
- Molecular Mass
- 178.24 g/mol
Identifiers
CAS Registry Number
2524-67-6
SMILES
Nc1ccc(N2CCOCC2)cc1
InChI Key
PHNDZBFLOPIMSM-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
Names and Synonyms
- 4-Morpholinoaniline Systematic Name
- Benzenamine, 4-(4-morpholinyl)- Synonym
- Morpholine, 4-(p-aminophenyl)- Synonym
- 4-(4-Morpholinyl)benzenamine Synonym
- 4-Morpholinoaniline Synonym
- p-Morpholinoaniline Synonym
- N-(4-Aminophenyl)morpholine Synonym
- N-(4′-Aminophenyl)morpholine Synonym
- 4-N-Morpholinoaniline Synonym
- 4-(4-Aminophenyl)morpholine Synonym
- 4-(4-Morpholinyl)aniline Synonym
- 4-(Morpholin-4-yl)phenylamine Synonym
- 4-Morpholinobenzenamine Synonym
- (4-(Morpholino)phenyl)amine Synonym
- NSC 26334 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.24 g/mol | CAS Common Chemistry |
| 178.235 g/mol | RDKit | |
| Canonical SMILES | O1CCN(C2=CC=C(N)C=C2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PHNDZBFLOPIMSM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129.5-130.5 °C @ Solvent: Methanol, Benzene, Ligroine | CAS Common Chemistry |
| Name | 4-Morpholinoaniline | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.489999999999995 Ų | RDKit |
| 38.49 Ų | RDKit | |
| 38.26 Ų | chempirical lib | |
| LogP | 1.1054 | RDKit |
| Molar Refractivity | 53.88640000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 178.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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.
External Resources
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MW = 178.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O.
