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Trans-Cinnamamide
CAS: 22031-64-7 | C9H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22031-64-7
Molecular Formula:
C9H9NO
Molecular Mass:
147.18 g/mol
Names and Synonyms:
Trans-Cinnamamide
2-Propenamide, 3-phenyl-, (2E)-
Cinnamamide, (E)-
2-Propenamide, 3-phenyl-, (E)-
(2E)-3-Phenyl-2-propenamide
trans-Cinnamamide
trans-Cinnamic acid amide
trans-Cinnamoylamine
trans-β-(Aminocarbonyl)styrene
U 2422
(E)-Cinnamamide
trans-3-Phenyl-2-propenamide
(E)-3-Phenyl-2-propenamide
(E)-Cinnamamide
Identifiers:
SMILES:
N=C(O)/C=C/c1ccccc1
InChI:
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
Key Properties
Melting Point
148 °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 | 147.18 g/mol | CAS Common Chemistry |
| 147.177 g/mol | RDKit | |
| 147.068413908 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=APEJMQOBVMLION-VOTSOKGWSA-N | CAS Common Chemistry |
| Melting Point | 148 °C | CAS Common Chemistry |
| Name | trans-Cinnamamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 2.2350700000000003 | RDKit |
| Molar Refractivity | 45.83150000000002 | RDKit |
