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N-(Methoxymethyl)-2-Methyl-2-Propenamide
CAS: 3644-12-0 | C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3644-12-0
Molecular Formula:
C6H11NO2
Molecular Weight:
129.15899999999996 g/mol
Names and Synonyms:
N-(Methoxymethyl)-2-Methyl-2-Propenamide
N-Methoxymethymethacrylamide
N-Methoxymethylmethacrylamide
N-(Methoxymethyl)methacrylamide
Methoxymethylmethacrylamide
N-Methylolmethacrylamide methyl ether
N-(Methoxymethyl)-2-methyl-2-propenamide
Acrylamide, N-(methoxymethyl)-2-methyl-
2-Propenamide, N-(methoxymethyl)-2-methyl-
Identifiers:
SMILES:
C=C(C)C(O)=NCOC
InChI:
InChI=1S/C6H11NO2/c1-5(2)6(8)7-4-9-3/h1,4H2,2-3H3,(H,7,8)
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 | 129.15899999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1229 | RDKit |
| molecular_mass | 129.16 g/mol | Legacy Database |
| cas-boiling-point | 86 °C @ Press: 0.8 Torr None | Legacy Database |
| cas-canonical-smile | O=C(NCOC)C(=C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H11NO2/c1-5(2)6(8)7-4-9-3/h1,4H2,2-3H3,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=YOZHLACIXDCHPV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-(Methoxymethyl)-2-methyl-2-propenamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.753800000000005 | RDKit |
