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2-Aminoethyl Methacrylate Hydrochloride
CAS: 2420-94-2 | C6H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2420-94-2
Molecular Formula:
C6H12ClNO2
Molecular Mass:
165.62 g/mol
Names and Synonyms:
2-Aminoethyl Methacrylate Hydrochloride
2-Propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride (1:1)
Methacrylic acid, 2-aminoethyl ester, hydrochloride
2-Propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride
Ethanol, 2-amino-, methacrylate (ester), hydrochloride
2-Aminoethyl methacrylate hydrochloride
2-Aminoethyl 2-methylacrylate hydrochloride
2-Aminoethyl 2-methylacrylate hydrochloride (1:1)
Identifiers:
SMILES:
C=C(C)C(=O)OCCN.Cl
InChI:
InChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H
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 | 165.62 g/mol | CAS Common Chemistry |
| 165.055656304 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(OCCN)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XSHISXQEKIKSGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Aminoethyl methacrylate hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | 0.4862 | RDKit |
| Molar Refractivity | 42.07540000000001 | RDKit |
