HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 950Generated: November 3, 2026
Benzenamine, N,N-dimethyl-, N-oxide
dimethylaniline N-oxide · N,N-dimethylaniline oxide · Phenyldimethylamine oxide · Dimethylphenylamine oxide · N,N-dimethylaniline N-oxide · Phenyloxylatodimethylaminium · dimethyl-oxido-phenyl-ammonium · N,N-Dimethylbenzenamine N-oxide
https://huagongshe.com/en/chemical/950
Identifiers & Physical Properties
| CAS No. | 874-52-2 |
|---|
| Molecular formula | C8H11NO |
|---|
| Average molar mass | 137.18 g/mol |
|---|
| Monoisotopic mass | 137.08406397 g/mol |
|---|
| SMILES | C[N+](C)([O-])c1ccccc1 |
|---|
| InChIKey | LKQUDAOAMBKKQW-UHFFFAOYSA-N |
|---|
| PubChem CID | 950 |
|---|
| ChEBI | CHEBI:17735 |
|---|
| EC No. | 212-863-2 |
|---|
| DTXSID | DTXSID60236323 |
|---|
Chemical & Physical Properties
| XLogP | 1.3 |
|---|
| Topological polar surface area | 18.1 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 1 |
|---|
| Rotatable bonds | 1 |
|---|
| Heavy atoms | 10 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 106 |
|---|
| Chemical classes | Nitrogen Compounds -> Amine Oxides |
|---|
| SpringerMaterials Properties | Chemical shift |
|---|
| Physical Description | Solid |
|---|
| Melting point | 152 °C(Solv: carbon tetrachloride (56-23-5)) |
|---|
| pKa (acidity coefficient) | 4.50±0.20(Predicted) |
|---|
| FDA UNII | N3Q9LN57GP |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
Safety & Regulations
| Hazards summary | See Dimethylaniline. |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
