p-Anisidine
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CAS Number 104-94-9
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Catalog Number io-1737
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Classification Amines
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Molecular Weight 123.1500
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SMILES COC1=CC=C(C=C1)N
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P-anisidine is a substituted aniline that is aniline in which the hydrogen para to the amino group has been replaced by a methoxy group. It is used as a reagent for the detection of oxidation products such as aldehydes and ketones in fats and oils. It has a role as a reagent and a genotoxin. It is a member of methoxybenzenes, a substituted aniline and a primary amino compound.
| 1 | p-Anisidine |
| 2 | 4-Methoxyaniline |
| 3 | 4-Methoxybenzenamine |
| 4 | 4-Anisidine |
| 5 | 4-Aminoanisole |
| Molecular Formula | C7H9NO |
|---|---|
| Canonical SMILES | COC1=CC=C(C=C1)N |
| Isomeric SMILES | COC1=CC=C(C=C1)N |
| Molecular Weight | 123.1500 |
| InChIKey | BHAAPTBBJKJZER-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 |
| XLogP | 0.9000 |
| ExactMass | 123.0684 |
| MonoisotopicMass | 123.0684 |
| TPSA | 35.2000 |
| Complexity | 77.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 36346 |
| PatentFamilyCount | 13756 |
| LiteratureCount | 3348 |
