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4-(Dimethylamino)Cinnamaldehyde
CAS: 6203-18-5 | C11H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6203-18-5
Molecular Formula:
C11H13NO
Molecular Mass:
175.23 g/mol
Names and Synonyms:
4-(Dimethylamino)Cinnamaldehyde
2-Propenal, 3-[4-(dimethylamino)phenyl]-
Cinnamaldehyde, p-(dimethylamino)-
3-[4-(Dimethylamino)phenyl]-2-propenal
p-(Dimethylamino)cinnamaldehyde
p-(Dimethylamino)cinnamic aldehyde
4-(Dimethylamino)cinnamaldehyde
4-(N,N-Dimethylamino)cinnamaldehyde
p-(N,N-Dimethylamino)cinnamaldehyde
3-(4-Dimethylaminophenyl)propenal
4-Dimethylaminozimtaldehyde
NSC 62138
4-Dimethylaminocinnamic aldehyde
p-Dimethylaminocinnamaldehyde
4-Dimethylaminocinnamaldehyde
Identifiers:
SMILES:
CN(C)c1ccc(C=CC=O)cc1
InChI:
InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3
Key Properties
Melting Point
133.7-135 °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 | 175.23 g/mol | CAS Common Chemistry |
| 175.23099999999997 g/mol | RDKit | |
| 175.099714036 g/mol | RDKit | |
| Canonical SMILES | O=CC=CC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RUKJCCIJLIMGEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133.7-135 °C | CAS Common Chemistry |
| Name | 4-(Dimethylamino)cinnamaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.9647 | RDKit |
| Molar Refractivity | 55.867000000000026 | RDKit |
