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Molecule
Carboxymethoxylamine Hemihydrochloride
CAS: 2921-14-4 · C2H6ClNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2921-14-4
- Molecular Formula
- C2H6ClNO3
- Molecular Mass
- 127.53 g/mol
Identifiers
CAS Registry Number
2921-14-4
SMILES
Cl.NOCC(=O)O
InChI Key
IXMIEQPWCAPGKV-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO3.ClH/c3-6-1-2(4)5;/h1,3H2,(H,4,5);1H
Names and Synonyms
- Carboxymethoxylamine Hemihydrochloride Common Name
- Acetic acid, 2-(aminooxy)-, hydrochloride (2:1) Synonym
- Acetic acid, (aminooxy)-, hydrochloride (2:1) Synonym
- Acetic acid, (aminooxy)-, hemihydrochloride Synonym
- Aminooxyacetic acid hemihydrochloride Synonym
- Carboxymethoxyamine hemihydrochloride Synonym
- O-Carboxymethylhydroxylamine hemihydrochloride Synonym
- Carboxymethoxylamine hemihydrochloride Synonym
- Aminooxyacetic acid hemichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.53 g/mol | CAS Common Chemistry |
| 127.52699999999999 g/mol | RDKit | |
| 127.527 g/mol | RDKit | |
| 127.524 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)CON | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO3.ClH/c3-6-1-2(4)5;/h1,3H2,(H,4,5);1H | CAS Common Chemistry |
| InChI Key | InChIKey=IXMIEQPWCAPGKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150-151 °C (decomp) | CAS Common Chemistry |
| Name | Carboxymethoxylamine hemihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -0.6169000000000002 | RDKit |
| -0.6169 | RDKit | |
| Molar Refractivity | 25.0232 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 127.003620732 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
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 = 127.53 g/mol. Edit any field — others recompute live.
