Back to Search
N-(1,1-Dimethylethyl)-2-Methyl-2-Propenamide
CAS: 6554-73-0 | C8H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6554-73-0
Molecular Formula:
C8H15NO
Molecular Weight:
141.21399999999997 g/mol
Names and Synonyms:
N-(1,1-Dimethylethyl)-2-Methyl-2-Propenamide
2-Propenamide, N-(1,1-dimethylethyl)-2-methyl-
Acrylamide, N-tert-butyl-2-methyl-
N-(1,1-Dimethylethyl)-2-methyl-2-propenamide
N-tert-Butylmethacrylamide
tert-Butylmethacrylamide
Identifiers:
SMILES:
C=C(C)C(O)=NC(C)(C)C
InChI:
InChI=1S/C8H15NO/c1-6(2)7(10)9-8(3,4)5/h1H2,2-5H3,(H,9,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.21399999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.1153641 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.59 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.3175 | RDKit |
| molecular_mass | 141.21 g/mol | Legacy Database |
| cas-boiling-point | 111-112 °C @ Press: 43 Torr None | Legacy Database |
| cas-canonical-smile | O=C(NC(C)(C)C)C(=C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H15NO/c1-6(2)7(10)9-8(3,4)5/h1H2,2-5H3,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=QQZXAODFGRZKJT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 59 °C None | Legacy Database |
| cas-name | N-(1,1-Dimethylethyl)-2-methyl-2-propenamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.630800000000015 | RDKit |
