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N-Isopropylacrylamide
CAS: 2210-25-5 | C6H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2210-25-5
Molecular Formula:
C6H11NO
Molecular Mass:
113.16 g/mol
Names and Synonyms:
N-Isopropylacrylamide
2-Propenamide, N-(1-methylethyl)-
Acrylamide, N-isopropyl-
N-(1-Methylethyl)-2-propenamide
N-Isopropylacrylamide
NIPAM
Isopropylacrylamide
N-Isopropylpropenamide
NSC 11448
NIPAAm
2-Propenoic acid, (1-methylethyl)azanyl ester
Identifiers:
SMILES:
C=CC(O)=NC(C)C
InChI:
InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)
Key Properties
Boiling Point
85-88 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
60 °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 | 113.16 g/mol | CAS Common Chemistry |
| 113.15999999999998 g/mol | RDKit | |
| 113.084063972 g/mol | RDKit | |
| Boiling Point | 85-88 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C)NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=QNILTEGFHQSKFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60 °C | CAS Common Chemistry |
| Name | N-Isopropylacrylamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.5372999999999999 | RDKit |
| Molar Refractivity | 35.3968 | RDKit |
