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Molecule
O-Benzylhydroxylamine Hydrochloride
CAS: 2687-43-6 · C7H10ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2687-43-6
- Molecular Formula
- C7H10ClNO
- Molecular Mass
- 159.62 g/mol
Identifiers
CAS Registry Number
2687-43-6
SMILES
Cl.NOCc1ccccc1
InChI Key
HYDZPXNVHXJHBG-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
Names and Synonyms
- O-Benzylhydroxylamine Hydrochloride Common Name
- Hydroxylamine O-benzyl ether hydrochloride Synonym
- Hydroxylamine, O-(phenylmethyl)-, hydrochloride (1:1) Synonym
- Hydroxylamine, O-benzyl-, hydrochloride Synonym
- Hydroxylamine, O-(phenylmethyl)-, hydrochloride Synonym
- Benzyloxyamine, hydrochloride Synonym
- O-Benzylhydroxylamine hydrochloride Synonym
- Benzyloxyammonium chloride Synonym
- O-(Phenylmethyl)hydroxylamine hydrochloride Synonym
- Phenylmethoxyamine hydrochloride Synonym
- [(Aminooxy)methyl]benzene hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.62 g/mol | CAS Common Chemistry |
| 159.616 g/mol | RDKit | |
| 159.613 g/mol | chempirical lib | |
| 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 |
| 1.4987 | RDKit | |
| Molar Refractivity | 42.66640000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 159.04509162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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 = 159.62 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10ClNO.
