Methyl(tripropyl)phosphanium iodide

CAS Number: 100094-65-3
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CCC[P+](C)(CCC)CCC.[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.C10H24P
Molecular Weight
175.275
Drug-likeness
-14.88
CAS
100094-65-3
InChI key
VBLKCVJGAOUJAL-UHFFFAOYSA-M
SMILES
CCC[P+](C)(CCC)CCC.[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 100094-65-3
Molecule Name Methyl(tripropyl)phosphanium iodide
Molecular Formula I.C10H24P
SMILES CCC[P+](C)(CCC)CCC.[I-]
InChI InChI=1S/C10H24P.HI/c1-5-8-11(4,9-6-2)10-7-3;/h5-10H2,1-4H3;1H/q+1;/p-1
InChI Key VBLKCVJGAOUJAL-UHFFFAOYSA-M
CanonicalSyTyLFy 33e06d67ec496cc7
TotalMolweight 302.175
Molecular Weight 175.275
MonoisotopicMass 175.161562
CLogP 3.4122
CLogS -3.764
TotalSurfaceArea 158.6
Drug-likeness -14.88
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions phosphonium
Shape Index 0.63636
Molecula Flexibility 0.74926
Molecular Complexity 0.38918
Fragments 2
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 6
Sp3Atoms 11
Symmetricatoms 6

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