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Hydroxylamine, O-[(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1)
CAS: 876-33-5 | C8H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
876-33-5
Molecular Formula:
C8H12ClNO2
Molecular Mass:
189.64 g/mol
Names and Synonyms:
Hydroxylamine, O-[(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1)
Hydroxylamine, O-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)
Hydroxylamine, O-(p-methoxybenzyl)-, hydrochloride
Benzyloxyamine, p-methoxy-, hydrochloride
Hydroxylamine, O-[(4-methoxyphenyl)methyl]-, hydrochloride
O-(4-Methoxybenzyl)hydroxylamine hydrochloride
4-Methoxybenzyloxyamine hydrochloride
Identifiers:
SMILES:
COc1ccc(CON)cc1.Cl
InChI:
InChI=1S/C8H11NO2.ClH/c1-10-8-4-2-7(3-5-8)6-11-9;/h2-5H,6,9H2,1H3;1H
Key Properties
Melting Point
199-200 °C (decomp) @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 | 189.64 g/mol | CAS Common Chemistry |
| 189.64200000000002 g/mol | RDKit | |
| 189.055656304 g/mol | RDKit | |
| Canonical SMILES | Cl.O(N)CC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO2.ClH/c1-10-8-4-2-7(3-5-8)6-11-9;/h2-5H,6,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DHEZQYZJFCIQQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199-200 °C (decomp) @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Hydroxylamine, O-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 1.5072999999999999 | RDKit |
| Molar Refractivity | 49.218400000000024 | RDKit |
