Perchloric acid--2,2,6,6-tetramethylpiperidine (1/1)

CAS Number: 921931-22-8
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CC1(C)NC(C)(C)CCC1.OCl(=O)(=O)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HO4Cl.C9H19N
Molecular Weight
141.257
Drug-likeness
-1.7969
CAS
921931-22-8
InChI key
HENOEHUEDUITLF-UHFFFAOYSA-N
SMILES
CC1(C)NC(C)(C)CCC1.OCl(=O)(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 921931-22-8
Molecule Name Perchloric acid--2,2,6,6-tetramethylpiperidine (1/1)
Molecular Formula HO4Cl.C9H19N
SMILES CC1(C)NC(C)(C)CCC1.OCl(=O)(=O)=O
InChI InChI=1S/C9H19N.ClHO4/c1-8(2)6-5-7-9(3,4)10-8;2-1(3,4)5/h10H,5-7H2,1-4H3;(H,2,3,4,5)
InChI Key HENOEHUEDUITLF-UHFFFAOYSA-N
CanonicalSyTyLFy aab56bead4999386
TotalMolweight 241.714
Molecular Weight 141.257
MonoisotopicMass 141.151749
CLogP 1.9899
CLogS -2.099
H Acceptors 1
H Donors 1
TotalSurfaceArea 122.6
Relative PSA 0.093475
PolarSurfaceArea 12.03
Drug-likeness -1.7969
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.18746
Molecular Complexity 0.52781
Fragments 2
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Sp3Atoms 10
Symmetricatoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1

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