Diaminotoluene
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CAS Number 823-40-5
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Catalog Number io-2113
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Classification Amines
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Molecular Weight 122.1700
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SMILES CC1=C(C=CC=C1N)N
| Size | QTY | Notes | |
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2,6-diaminotoluene is a diamine that is toluene in which both of the hydrogens ortho- to the methyl group are replaced by amino groups. It has a role as a mutagen. It is a diamine and a primary amino compound. It derives from a hydride of a toluene.
| 1 | 2,6-DIAMINOTOLUENE |
| 2 | 2-methylbenzene-1,3-diamine |
| 3 | 2,6-Toluenediamine |
| 4 | Toluene-2,6-diamine |
| 5 | 1,3-Benzenediamine, 2-methyl- |
| Molecular Formula | C7H10N2 |
|---|---|
| Canonical SMILES | CC1=C(C=CC=C1N)N |
| Isomeric SMILES | CC1=C(C=CC=C1N)N |
| Molecular Weight | 122.1700 |
| InChIKey | RLYCRLGLCUXUPO-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3 |
| XLogP | 0.9000 |
| ExactMass | 122.0844 |
| MonoisotopicMass | 122.0844 |
| TPSA | 52.0000 |
| Complexity | 82.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 25734 |
| PatentFamilyCount | 9168 |
| LiteratureCount | 228 |
