3,3'-Dimethoxybenzidine dihydrochloride
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CAS Number 20325-40-0
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Catalog Number io-2235
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Classification Ethers
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Molecular Weight 317.2000
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SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl
| Size | QTY | Notes | |
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3,3'-Dimethoxybenzidine dihydrochloride can cause cancer according to The National Toxicology Program.
| 1 | 3,3'-DIMETHOXYBENZIDINE DIHYDROCHLORIDE |
| 2 | o-Dianisidine dihydrochloride |
| 3 | o-Dianisidine (dihydrochloride) |
| 4 | C.I. Disperse Black 6 dihydrochloride |
| 5 | 3,3'-Dimethoxybenzidine.2HCl |
| Molecular Formula | C14H18Cl2N2O2 |
|---|---|
| Canonical SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl |
| Isomeric SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl |
| Molecular Weight | 317.2000 |
| InChIKey | UXTIAFYTYOEQHV-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H |
| XLogP | 0.0000 |
| ExactMass | 316.0745 |
| MonoisotopicMass | 316.0745 |
| TPSA | 70.5000 |
| Complexity | 236.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 168 |
| PatentFamilyCount | 72 |
| LiteratureCount | 703 |
