Amiton oxalate
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CAS Number 3734-97-2
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Catalog Number io-1697
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Classification Amines
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Molecular Weight 359.3800
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SMILES CCN(CC)CCSP(=O)(OCC)OCC.C(=O)(C(=O)O)O
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Amiton oxalate |
| 2 | Citram |
| 3 | Tetram monooxalate |
| 4 | (2-(Diethylthiophosphor-S-yl)ethyl)diethylammonium hydrogen oxalate |
| 5 | Phosphorothioic acid, S-(2-(diethylamino)ethyl) O,O-diethyl ester, ethanedioate (1:1) |
| Molecular Formula | C12H26NO7PS |
|---|---|
| Canonical SMILES | CCN(CC)CCSP(=O)(OCC)OCC.C(=O)(C(=O)O)O |
| Isomeric SMILES | CCN(CC)CCSP(=O)(OCC)OCC.C(=O)(C(=O)O)O |
| Molecular Weight | 359.3800 |
| InChIKey | LUBCBEANYIETCW-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H24NO3PS.C2H2O4/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4;3-1(4)2(5)6/h5-10H2,1-4H3;(H,3,4)(H,5,6) |
| XLogP | 0.0000 |
| ExactMass | 359.1168 |
| MonoisotopicMass | 359.1168 |
| TPSA | 139.0000 |
| Complexity | 274.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 11 |
| HeavyAtomCount | 22 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 2321 |
| PatentFamilyCount | 579 |
| LiteratureCount | 2 |
