2,4-Diaminotoluene
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CAS Number 95-80-7
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Catalog Number io-2114
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Classification Amines
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Molecular Weight 122.1700
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SMILES CC1=C(C=C(C=C1)N)N
| Size | QTY | Notes | |
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2,4-Diaminotoluene can cause cancer according to an independent committee of scientific and health experts.
| 1 | 2,4-Diaminotoluene |
| 2 | 4-methylbenzene-1,3-diamine |
| 3 | 2,4-Toluenediamine |
| 4 | TOLUENE-2,4-DIAMINE |
| 5 | m-Toluenediamine |
| Molecular Formula | C7H10N2 |
|---|---|
| Canonical SMILES | CC1=C(C=C(C=C1)N)N |
| Isomeric SMILES | CC1=C(C=C(C=C1)N)N |
| Molecular Weight | 122.1700 |
| InChIKey | VOZKAJLKRJDJLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3 |
| XLogP | 0.1000 |
| ExactMass | 122.0844 |
| MonoisotopicMass | 122.0844 |
| TPSA | 52.0000 |
| Complexity | 92.0000 |
| 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 | 69530 |
| PatentFamilyCount | 29438 |
| LiteratureCount | 1058 |
