8-Methyl-8-azabicyclo[3.2.1]octane--hydrogen chloride (1/1)

CAS Number: 23555-06-8
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CN1C2CCCC1CC2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H15N
Molecular Weight
125.214
Drug-likeness
-0.69842
CAS
23555-06-8
InChI key
PTEBDBUMFCLAAP-UHFFFAOYSA-N
SMILES
CN1C2CCCC1CC2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 23555-06-8
Molecule Name 8-Methyl-8-azabicyclo[3.2.1]octane--hydrogen chloride (1/1)
Molecular Formula HCl.C8H15N
SMILES CN1C2CCCC1CC2.Cl
InChI InChI=1S/C8H15N.ClH/c1-9-7-3-2-4-8(9)6-5-7;/h7-8H,2-6H2,1H3;1H
InChI Key PTEBDBUMFCLAAP-UHFFFAOYSA-N
CanonicalSyTyLFy 55ffd9418d0f0005
TotalMolweight 161.675
Molecular Weight 125.214
MonoisotopicMass 125.120449
CLogP 1.3536
CLogS -1.605
H Acceptors 1
TotalSurfaceArea 102.86
Relative PSA 0.034513
PolarSurfaceArea 3.24
Drug-likeness -0.69842
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecula Flexibility 0.1772
Molecular Complexity 0.63561
Fragments 2
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rings Closures 2
Small Rings 3
Sp3Atoms 9
Symmetricatoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon unknown chirality

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