2-Oxa-8-azaspiro[4.5]decane--hydrogen chloride (1/1)

CAS Number: 479195-19-2
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C(COC1)C11CCNCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H15NO
Molecular Weight
141.213
Drug-likeness
-1.7258
CAS
479195-19-2
InChI key
NAPOHLRYXDDENP-UHFFFAOYSA-N
SMILES
C(COC1)C11CCNCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 479195-19-2
Molecule Name 2-Oxa-8-azaspiro[4.5]decane--hydrogen chloride (1/1)
Molecular Formula HCl.C8H15NO
SMILES C(COC1)C11CCNCC1.Cl
InChI InChI=1S/C8H15NO.ClH/c1-4-9-5-2-8(1)3-6-10-7-8;/h9H,1-7H2;1H
InChI Key NAPOHLRYXDDENP-UHFFFAOYSA-N
CanonicalSyTyLFy 699757ed3ccdd4b6
TotalMolweight 177.674
Molecular Weight 141.213
MonoisotopicMass 141.115364
CLogP 0.5721
CLogS -1.199
H Acceptors 2
H Donors 1
TotalSurfaceArea 114.69
Relative PSA 0.18711
PolarSurfaceArea 21.26
Drug-likeness -1.7258
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.15142
Molecular Complexity 0.65162
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 2
Small Rings 2
Sp3Atoms 10
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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