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N-Benzylacrylamide
CAS: 13304-62-6 | C10H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13304-62-6
Molecular Formula:
C10H11NO
Molecular Mass:
161.20 g/mol
Names and Synonyms:
N-Benzylacrylamide
2-Propenamide, N-(phenylmethyl)-
Acrylamide, N-benzyl-
N-(Phenylmethyl)-2-propenamide
N-Benzylacrylamide
N-Benzyl-2-propenamide
Identifiers:
SMILES:
C=CC(O)=NCc1ccccc1
InChI:
InChI=1S/C10H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
Key Properties
Boiling Point
138-140 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
69 °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 | 161.20 g/mol | CAS Common Chemistry |
| 161.204 g/mol | RDKit | |
| 161.084063972 g/mol | RDKit | |
| Boiling Point | 138-140 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C)NCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=OHLHOLGYGRKZMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69 °C | CAS Common Chemistry |
| Name | N-Benzylacrylamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.3291000000000004 | RDKit |
| Molar Refractivity | 50.406800000000025 | RDKit |
