C.I. Basic Red 1
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CAS Number 989-38-8
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Catalog Number io-2012
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Classification Amines
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Molecular Weight 479.0000
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SMILES CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]
| Size | QTY | Notes | |
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Rhodamine 6G is a rhodamine 6G(1+), an organic chloride salt and a xanthene dye. It has a role as a fluorochrome.
| 1 | RHODAMINE 6G |
| 2 | Basic Red 1 |
| 3 | C.I. Basic Red 1 |
| 4 | Rhodamine F5G |
| 5 | Rhodamine 6G chloride |
| Molecular Formula | C28H31ClN2O3 |
|---|---|
| Canonical SMILES | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-] |
| Isomeric SMILES | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-] |
| Molecular Weight | 479.0000 |
| InChIKey | VYXSBFYARXAAKO-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H |
| XLogP | 0.0000 |
| ExactMass | 478.2023 |
| MonoisotopicMass | 478.2023 |
| TPSA | 61.5000 |
| Complexity | 823.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 34 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 26362 |
| PatentFamilyCount | 11571 |
| LiteratureCount | 7111 |
