Benzenamine, N,N-dimethyl-, N-oxide
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CAS Number 874-52-2
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Catalog Number io-406937
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Molecular Weight 137.1800
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SMILES
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N,N-dimethylaniline N-oxide is a member of the class of dimethylanilines that is N,N-dimethylaniline in which the tertiary amino group has been oxidised to give the corresponding N-oxide. It is a tertiary amine oxide and a dimethylaniline. It is functionally related to a N,N-dimethylaniline.
| 1 | N,N-Dimethylaniline N-oxide |
| 2 | Dimethylaniline N-oxide |
| 3 | Benzenamine, N,N-dimethyl-, N-oxide |
| 4 | N3Q9LN57GP |
| 5 | CHEBI:17735 |
| Molecular Formula | C8H11NO |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 137.1800 |
| InChIKey | LKQUDAOAMBKKQW-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| XLogP | 1.3000 |
| ExactMass | 137.0841 |
| MonoisotopicMass | 137.0841 |
| TPSA | 18.1000 |
| Complexity | 106.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 289 |
| PatentFamilyCount | 135 |
| LiteratureCount | 99 |
