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O-Benzylhydroxylamine Hydrochloride
CAS: 2687-43-6 | C7H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2687-43-6
Molecular Formula:
C7H10ClNO
Molecular Mass:
159.62 g/mol
Names and Synonyms:
O-Benzylhydroxylamine Hydrochloride
Hydroxylamine O-benzyl ether hydrochloride
Hydroxylamine, O-(phenylmethyl)-, hydrochloride (1:1)
Hydroxylamine, O-benzyl-, hydrochloride
Hydroxylamine, O-(phenylmethyl)-, hydrochloride
Benzyloxyamine, hydrochloride
O-Benzylhydroxylamine hydrochloride
Benzyloxyammonium chloride
O-(Phenylmethyl)hydroxylamine hydrochloride
Phenylmethoxyamine hydrochloride
[(Aminooxy)methyl]benzene hydrochloride
Identifiers:
SMILES:
Cl.NOCc1ccccc1
InChI:
InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
Key Properties
Melting Point
230-235 °C
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 | 159.62 g/mol | CAS Common Chemistry |
| 159.616 g/mol | RDKit | |
| 159.04509162 g/mol | RDKit | |
| Canonical SMILES | Cl.O(N)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HYDZPXNVHXJHBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230-235 °C | CAS Common Chemistry |
| Name | O-Benzylhydroxylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.4987000000000001 | RDKit |
| Molar Refractivity | 42.66640000000002 | RDKit |
