Amiton
  • CAS Number 78-53-5
  • Catalog Number io-1696
  • Classification Amines
  • Molecular Weight 269.3400
  • SMILES CCN(CC)CCSP(=O)(OCC)OCC
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1 AMITON
2 Metramac
3 Inferno
4 Tetram
5 DSDP
Molecular Formula C10H24NO3PS
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