3,3'-Dimethylbenzidine dihydrochloride
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CAS Number 612-82-8
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Catalog Number io-2243
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Classification Salts
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Molecular Weight 285.2000
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SMILES CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl
| Size | QTY | Notes | |
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3,3'-Dimethylbenzidine dihydrochloride can cause cancer according to The National Toxicology Program.
| 1 | o-Tolidine dihydrochloride |
| 2 | 3,3'-DIMETHYLBENZIDINE DIHYDROCHLORIDE |
| 3 | Benzidine, 3,3'-dimethyl-, dihydrochloride |
| 4 | MFCD00012960 |
| 5 | 3,3'-Dimethylbenzidine.2HCl |
| Molecular Formula | C14H18Cl2N2 |
|---|---|
| Canonical SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl |
| Isomeric SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl |
| Molecular Weight | 285.2000 |
| InChIKey | LUKPNZHXJRJBAN-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H |
| XLogP | 0.0000 |
| ExactMass | 284.0847 |
| MonoisotopicMass | 284.0847 |
| TPSA | 52.0000 |
| Complexity | 205.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 72 |
| PatentFamilyCount | 28 |
| LiteratureCount | 25 |
