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4-Morpholinoaniline
CAS: 2524-67-6 | C10H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2524-67-6
Molecular Formula:
C10H14N2O
Molecular Mass:
178.24 g/mol
Names and Synonyms:
4-Morpholinoaniline
Benzenamine, 4-(4-morpholinyl)-
Morpholine, 4-(p-aminophenyl)-
4-(4-Morpholinyl)benzenamine
4-Morpholinoaniline
p-Morpholinoaniline
N-(4-Aminophenyl)morpholine
N-(4′-Aminophenyl)morpholine
4-N-Morpholinoaniline
4-(4-Aminophenyl)morpholine
4-(4-Morpholinyl)aniline
4-(Morpholin-4-yl)phenylamine
4-Morpholinobenzenamine
(4-(Morpholino)phenyl)amine
NSC 26334
Identifiers:
SMILES:
Nc1ccc(N2CCOCC2)cc1
InChI:
InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
Key Properties
Melting Point
129.5-130.5 °C @ Solvent: Methanol, Benzene, Ligroine
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 | 178.24 g/mol | CAS Common Chemistry |
| 178.235 g/mol | RDKit | |
| 178.110613068 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 |
| LogP | 1.1054 | RDKit |
| Molar Refractivity | 53.88640000000002 | RDKit |
