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Hydroxylamine, O-(1,1-Dimethylethyl)-, Hydrochloride (1:1)
CAS: 39684-28-1 | C4H12ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39684-28-1
Molecular Formula:
C4H12ClNO
Molecular Weight:
125.599 g/mol
Names and Synonyms:
Hydroxylamine, O-(1,1-Dimethylethyl)-, Hydrochloride (1:1)
Hydroxylamine, O-(1,1-dimethylethyl)-, hydrochloride (1:1)
Hydroxylamine, O-(1,1-dimethylethyl)-, hydrochloride
tert-Butoxyamine hydrochloride
O-tert-Butylhydroxylamine hydrochloride
O-t-Butylhydroxylamine hydrochloride
2-Aminooxy-2-methylpropane hydrochloride
Identifiers:
SMILES:
CC(C)(C)ON.Cl
InChI:
InChI=1S/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 125.60 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O(N)C(C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=ZBDXGNXNXXPKJI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Hydroxylamine, O-(1,1-dimethylethyl)-, hydrochloride (1:1) None | Legacy Database |
| LogP | 1.097 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 125.599 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.06074168399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.27339999999999 | RDKit |
