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4-(Diethylamino)Benzaldehyde
CAS: 120-21-8 | C11H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-21-8
Molecular Formula:
C11H15NO
Molecular Mass:
177.25 g/mol
Names and Synonyms:
4-(Diethylamino)Benzaldehyde
Benzaldehyde, 4-(diethylamino)-
Benzaldehyde, p-(diethylamino)-
4-(Diethylamino)benzaldehyde
p-(Diethylamino)benzaldehyde
p-Formyl-N,N-diethylaniline
4-(N,N-Diethylamino)benzaldehyde
4-Formyl-N,N-diethylaniline
p-(N,N-Diethylamino)benzaldehyde
NSC 8782
N,N-Diethyl-4-formylaniline
4-(N,N-Diethylamine)benzaldehyde
4-(N,N-Diethylphenyl)aldehyde
N,N-Diethylaminobenzaldehyde
Identifiers:
SMILES:
CCN(CC)c1ccc(C=O)cc1
InChI:
InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
Key Properties
Melting Point
41 °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 | 177.25 g/mol | CAS Common Chemistry |
| 177.24699999999999 g/mol | RDKit | |
| 177.1153641 g/mol | RDKit | |
| Canonical SMILES | O=CC1=CC=C(C=C1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MNFZZNNFORDXSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41 °C | CAS Common Chemistry |
| Name | 4-(Diethylamino)benzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 2.3453 | RDKit |
| Molar Refractivity | 55.39050000000004 | RDKit |
