Tetraethylphosphanium iodide

CAS Number: 4317-06-0
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CC[P+](CC)(CC)CC.[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.C8H20P
Molecular Weight
147.221
Drug-likeness
-16.22
CAS
4317-06-0
InChI key
WKSYTZHMRBAPAO-UHFFFAOYSA-M
SMILES
CC[P+](CC)(CC)CC.[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 4317-06-0
Molecule Name Tetraethylphosphanium iodide
Molecular Formula I.C8H20P
SMILES CC[P+](CC)(CC)CC.[I-]
InChI InChI=1S/C8H20P.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChI Key WKSYTZHMRBAPAO-UHFFFAOYSA-M
CanonicalSyTyLFy a48b1142e635e6a1
TotalMolweight 274.121
Molecular Weight 147.221
MonoisotopicMass 147.130262
CLogP 2.546
CLogS -3.186
TotalSurfaceArea 131.08
Drug-likeness -16.22
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions phosphonium
Shape Index 0.55556
Molecula Flexibility 0.88876
Molecular Complexity 0.44794
Fragments 2
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 4
Sp3Atoms 9
Symmetricatoms 6

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