Amiton
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CAS Number 78-53-5
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Catalog Number io-1696
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Classification Amines
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Molecular Weight 269.3400
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SMILES CCN(CC)CCSP(=O)(OCC)OCC
Size | QTY | Notes | |
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1 | AMITON |
2 | Metramac |
3 | Inferno |
4 | Tetram |
5 | DSDP |
Molecular Formula | C10H24NO3PS |
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Canonical SMILES | CCN(CC)CCSP(=O)(OCC)OCC |
Isomeric SMILES | CCN(CC)CCSP(=O)(OCC)OCC |
Molecular Weight | 269.3400 |
InChIKey | PJISLFCKHOHLLP-UHFFFAOYSA-N |
InChI | InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3 |
XLogP | 1.7000 |
ExactMass | 269.1215 |
MonoisotopicMass | 269.1215 |
TPSA | 64.1000 |
Complexity | 202.0000 |
Charge | 0.0000 |
HBondDonorCount | 0 |
HBondAcceptorCount | 5 |
RotatableBondCount | 10 |
HeavyAtomCount | 16 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 6393 |
PatentFamilyCount | 1832 |
LiteratureCount | 77 |