2,2,6,6-Tetramethyldecylpiperidine

CAS Number: 120186-28-9
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CCCCCCCCCCN1C(C)(C)CCCC1(C)C.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C19H39N
Molecular Weight
281.526
Drug-likeness
-15.345
CAS
120186-28-9
InChI key
GDABAXJVJYOVAW-UHFFFAOYSA-N
SMILES
CCCCCCCCCCN1C(C)(C)CCCC1(C)C.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 120186-28-9
Molecule Name 2,2,6,6-Tetramethyldecylpiperidine
Molecular Formula HCl.C19H39N
SMILES CCCCCCCCCCN1C(C)(C)CCCC1(C)C.Cl
InChI InChI=1S/C19H39N.ClH/c1-6-7-8-9-10-11-12-13-17-20-18(2,3)15-14-16-19(20,4)5;/h6-17H2,1-5H3;1H
InChI Key GDABAXJVJYOVAW-UHFFFAOYSA-N
CanonicalSyTyLFy af3074e3fae98cf5
TotalMolweight 317.987
Molecular Weight 281.526
MonoisotopicMass 281.308249
CLogP 6.2843
CLogS -4.197
H Acceptors 1
TotalSurfaceArea 257.54
Relative PSA 0.013784
PolarSurfaceArea 3.24
Drug-likeness -15.345
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.54853
Molecular Complexity 0.54695
Fragments 2
Non HAtoms 20
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 9
Rings Closures 1
Small Rings 1
Sp3Atoms 20
Symmetricatoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1

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