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N-Isopropylmethacrylamide
CAS: 13749-61-6 | C7H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13749-61-6
Molecular Formula:
C7H13NO
Molecular Mass:
127.19 g/mol
Names and Synonyms:
N-Isopropylmethacrylamide
2-Propenamide, 2-methyl-N-(1-methylethyl)-
Acrylamide, N-isopropyl-2-methyl-
2-Methyl-N-(1-methylethyl)-2-propenamide
N-Isopropylmethacrylamide
2-Methyl-N-propan-2-ylprop-2-enamide
2-Methyl-N-(propan-2-yl)prop-2-enamide
Identifiers:
SMILES:
C=C(C)C(O)=NC(C)C
InChI:
InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)
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 | 127.19 g/mol | CAS Common Chemistry |
| 127.18699999999997 g/mol | RDKit | |
| 127.099714036 g/mol | RDKit | |
| Canonical SMILES | O=C(NC(C)C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=YQIGLEFUZMIVHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Isopropylmethacrylamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.9274 | RDKit |
| Molar Refractivity | 40.01380000000001 | RDKit |
