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Propanoic Acid, 2-(Aminooxy)-2-Methyl-, Hydrochloride (1:1)
CAS: 89766-91-6 | C4H10ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89766-91-6
Molecular Formula:
C4H10ClNO3
Molecular Mass:
155.58 g/mol
Names and Synonyms:
Propanoic Acid, 2-(Aminooxy)-2-Methyl-, Hydrochloride (1:1)
Propanoic acid, 2-(aminooxy)-2-methyl-, hydrochloride (1:1)
Propanoic acid, 2-(aminooxy)-2-methyl-, hydrochloride
Propionic acid, 2-(aminooxy)-2-methyl-, hydrochloride
1-Carboxy-1-methylethoxyammonium chloride
2,2-Dimethyl(aminooxy)acetic acid hydrochloride
2-(Aminooxy)-2-methylpropanoic acid hydrochloride
Identifiers:
SMILES:
CC(C)(ON)C(=O)O.Cl
InChI:
InChI=1S/C4H9NO3.ClH/c1-4(2,8-5)3(6)7;/h5H2,1-2H3,(H,6,7);1H
Key Properties
Melting Point
164-166 °C @ Solvent: Ethanol, Diethyl ether
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 | 155.58 g/mol | CAS Common Chemistry |
| 155.581 g/mol | RDKit | |
| 155.03492086 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C(ON)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO3.ClH/c1-4(2,8-5)3(6)7;/h5H2,1-2H3,(H,6,7);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZJPZGAAOCIFBDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-166 °C @ Solvent: Ethanol, Diethyl ether | CAS Common Chemistry |
| Name | Propanoic acid, 2-(aminooxy)-2-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.55 Ų | RDKit |
| LogP | 0.16170000000000007 | RDKit |
| Molar Refractivity | 34.2352 | RDKit |
