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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 Mass:
141.21 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)
Key Properties
Boiling Point
111-112 °C @ Press: 43 Torr
CAS Common Chemistry
Melting Point
59 °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 | 141.21 g/mol | CAS Common Chemistry |
| 141.21399999999997 g/mol | RDKit | |
| 141.1153641 g/mol | RDKit | |
| Boiling Point | 111-112 °C @ Press: 43 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(NC(C)(C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO/c1-6(2)7(10)9-8(3,4)5/h1H2,2-5H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=QQZXAODFGRZKJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59 °C | CAS Common Chemistry |
| Name | N-(1,1-Dimethylethyl)-2-methyl-2-propenamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.3175 | RDKit |
| Molar Refractivity | 44.630800000000015 | RDKit |
