N,N,N,4-Tetramethylanilinium iodide

CAS Number: 6140-15-4
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Cc(cc1)ccc1[N+](C)(C)C.[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.C10H16N
Molecular Weight
150.244
Drug-likeness
-2.7875
CAS
6140-15-4
InChI key
JKNUDGADTOYLOC-UHFFFAOYSA-M
SMILES
Cc(cc1)ccc1[N+](C)(C)C.[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6140-15-4
Molecule Name N,N,N,4-Tetramethylanilinium iodide
Molecular Formula I.C10H16N
SMILES Cc(cc1)ccc1[N+](C)(C)C.[I-]
InChI InChI=1S/C10H16N.HI/c1-9-5-7-10(8-6-9)11(2,3)4;/h5-8H,1-4H3;1H/q+1;/p-1
InChI Key JKNUDGADTOYLOC-UHFFFAOYSA-M
CanonicalSyTyLFy c9c7f9561330831d
TotalMolweight 277.144
Molecular Weight 150.244
MonoisotopicMass 150.128274
CLogP -2.9997
CLogS -1.887
H Acceptors 1
TotalSurfaceArea 128.18
Relative PSA -0.059448
Drug-likeness -2.7875
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions quart. ammonium
Shape Index 0.63636
Molecula Flexibility 0.47637
Molecular Complexity 0.56664
Fragments 2
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 4
Amines 1
Aromatic Amines 1

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