C.I. Food Red 15
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CAS Number 81-88-9
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Catalog Number io-2019
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Classification Acids
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Molecular Weight 479.0000
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SMILES CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]
| Size | QTY | Notes | |
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D&C Red No. 19 can cause cancer according to The Food and Drug Administration (FDA).
| 1 | RHODAMINE B |
| 2 | Basic Violet 10 |
| 3 | Brilliant Pink B |
| 4 | Tetraethylrhodamine |
| 5 | Rhodamine O |
| Molecular Formula | C28H31ClN2O3 |
|---|---|
| Canonical SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-] |
| Isomeric SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-] |
| Molecular Weight | 479.0000 |
| InChIKey | PYWVYCXTNDRMGF-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H |
| XLogP | 0.0000 |
| ExactMass | 478.2023 |
| MonoisotopicMass | 478.2023 |
| TPSA | 52.8000 |
| Complexity | 811.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 34 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 181293 |
| PatentFamilyCount | 56051 |
| LiteratureCount | 13950 |
