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Molecule
2-Propanamine, N-Hydroxy-2-Methyl-, Hydrochloride (1:1)
CAS: 57497-39-9 · C4H12ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 57497-39-9
- Molecular Formula
- C4H12ClNO
- Molecular Mass
- 125.60 g/mol
Identifiers
CAS Registry Number
57497-39-9
SMILES
CC(C)(C)NO.Cl
InChI Key
DCSATTBHEMKGIP-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO.ClH/c1-4(2,3)5-6;/h5-6H,1-3H3;1H
Names and Synonyms
- 2-Propanamine, N-Hydroxy-2-Methyl-, Hydrochloride (1:1) Systematic Name
- 2-Propanamine, N-hydroxy-2-methyl-, hydrochloride (1:1) Synonym
- 2-Propanamine, N-hydroxy-2-methyl-, hydrochloride Synonym
- Hydroxylamine, N-tert-butyl-, hydrochloride Synonym
- N-tert-Butylhydroxylamine hydrochloride Synonym
- tert-Butylhydroxylamine hydrochloride Synonym
- N-Hydroxy-2-methyl-2-propanamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 125.60 g/mol | CAS Common Chemistry |
| 125.59899999999999 g/mol | RDKit | |
| 125.599 g/mol | RDKit | |
| 125.596 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ONC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO.ClH/c1-4(2,3)5-6;/h5-6H,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DCSATTBHEMKGIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 2-Propanamine, N-hydroxy-2-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.1854999999999998 | RDKit |
| 1.1855 | RDKit | |
| Molar Refractivity | 31.92319999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 125.06074168399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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60
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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.
External Resources
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MW = 125.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H12ClNO.
