Isopropanolamine dodecylbenzene sulfonate
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CAS Number 42504-46-1
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Catalog Number io-2541
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Classification Salts
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Molecular Weight 321.5000
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SMILES CCCCCCCCCCCCC1=CC=CC=C1.CC(CN)O
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Isopropanolamine dodecylbenzene |
| 2 | DTXSID0049650 |
| 3 | BUYGZEAOFCSTDO-UHFFFAOYSA-N |
| 4 | Isopropanolamine dodecylbenzenesulfonate |
| 5 | NS00129724 |
| Molecular Formula | C21H39NO |
|---|---|
| Canonical SMILES | CCCCCCCCCCCCC1=CC=CC=C1.CC(CN)O |
| Isomeric SMILES | CCCCCCCCCCCCC1=CC=CC=C1.CC(CN)O |
| Molecular Weight | 321.5000 |
| InChIKey | BUYGZEAOFCSTDO-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H30.C3H9NO/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3(5)2-4/h11,13-14,16-17H,2-10,12,15H2,1H3;3,5H,2,4H2,1H3 |
| XLogP | 0.0000 |
| ExactMass | 321.3032 |
| MonoisotopicMass | 321.3032 |
| TPSA | 46.2000 |
| Complexity | 178.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 23 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |
