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Molecule
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
Identifiers
CAS Registry Number
6203-18-5
SMILES
CN(C)c1ccc(C=CC=O)cc1
InChI Key
RUKJCCIJLIMGEP-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3
Names and Synonyms
- 4-(Dimethylamino)Cinnamaldehyde Synonym
- 2-Propenal, 3-[4-(dimethylamino)phenyl]- Synonym
- Cinnamaldehyde, p-(dimethylamino)- Synonym
- 3-[4-(Dimethylamino)phenyl]-2-propenal Synonym
- p-(Dimethylamino)cinnamaldehyde Synonym
- p-(Dimethylamino)cinnamic aldehyde Synonym
- 4-(Dimethylamino)cinnamaldehyde Synonym
- 4-(N,N-Dimethylamino)cinnamaldehyde Synonym
- p-(N,N-Dimethylamino)cinnamaldehyde Synonym
- 3-(4-Dimethylaminophenyl)propenal Synonym
- 4-Dimethylaminozimtaldehyde Synonym
- NSC 62138 Synonym
- 4-Dimethylaminocinnamic aldehyde Synonym
- p-Dimethylaminocinnamaldehyde Synonym
- 4-Dimethylaminocinnamaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.23 g/mol | CAS Common Chemistry |
| 175.23099999999997 g/mol | RDKit | |
| 175.231 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.9647 | RDKit |
| 1.91 | chempirical lib | |
| Molar Refractivity | 55.867000000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 175.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 175.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13NO.
