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Molecule
2-Aminoethyl Methacrylate Hydrochloride
CAS: 2420-94-2 · C6H12ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2420-94-2
- Molecular Formula
- C6H12ClNO2
- Molecular Mass
- 165.62 g/mol
Identifiers
CAS Registry Number
2420-94-2
SMILES
C=C(C)C(=O)OCCN.Cl
InChI Key
XSHISXQEKIKSGC-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H
Names and Synonyms
- 2-Aminoethyl Methacrylate Hydrochloride Synonym
- 2-Propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride (1:1) Synonym
- Methacrylic acid, 2-aminoethyl ester, hydrochloride Synonym
- 2-Propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride Synonym
- Ethanol, 2-amino-, methacrylate (ester), hydrochloride Synonym
- 2-Aminoethyl methacrylate hydrochloride Synonym
- 2-Aminoethyl 2-methylacrylate hydrochloride Synonym
- 2-Aminoethyl 2-methylacrylate hydrochloride (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.62 g/mol | CAS Common Chemistry |
| 165.617 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 165.055656304 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 165.62 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12ClNO2.
