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4-Morpholinobenzaldehyde
CAS: 1204-86-0 | C11H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1204-86-0
Molecular Formula:
C11H13NO2
Molecular Mass:
191.23 g/mol
Names and Synonyms:
4-Morpholinobenzaldehyde
Benzaldehyde, 4-(4-morpholinyl)-
Benzaldehyde, p-morpholino-
4-(4-Morpholinyl)benzaldehyde
4-Morpholinobenzaldehyde
p-Morpholinobenzaldehyde
N-(4-Formylphenyl)morpholine
NSC 156543
Identifiers:
SMILES:
O=Cc1ccc(N2CCOCC2)cc1
InChI:
InChI=1S/C11H13NO2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,9H,5-8H2
Key Properties
Melting Point
63 °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 | 191.23 g/mol | CAS Common Chemistry |
| 191.094628656 g/mol | RDKit | |
| Canonical SMILES | O=CC1=CC=C(C=C1)N2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H13NO2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,9H,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FOAQOAXQMISINY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63 °C | CAS Common Chemistry |
| Name | 4-Morpholinobenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| LogP | 1.3357 | RDKit |
| Molar Refractivity | 54.861500000000035 | RDKit |
