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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 Weight:
127.18699999999997 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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 127.18699999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.099714036 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 1.9274 | RDKit |
| molecular_mass | 127.19 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC(C)C)C(=C)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=YQIGLEFUZMIVHU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-Isopropylmethacrylamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.01380000000001 | RDKit |
