6-Azaspiro[3.5]nonane--hydrogen chloride (1/1)

CAS Number: 1198285-07-2
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C(C1)CC11CNCCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H15N
Molecular Weight
125.214
Drug-likeness
0.19929
CAS
1198285-07-2
InChI key
IELLPRWHLZJJIN-UHFFFAOYSA-N
SMILES
C(C1)CC11CNCCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1198285-07-2
Molecule Name 6-Azaspiro[3.5]nonane--hydrogen chloride (1/1)
Molecular Formula HCl.C8H15N
SMILES C(C1)CC11CNCCC1.Cl
InChI InChI=1S/C8H15N.ClH/c1-3-8(4-1)5-2-6-9-7-8;/h9H,1-7H2;1H
InChI Key IELLPRWHLZJJIN-UHFFFAOYSA-N
CanonicalSyTyLFy 1d8b5a919153b503
TotalMolweight 161.675
Molecular Weight 125.214
MonoisotopicMass 125.120449
CLogP 1.3941
CLogS -1.818
H Acceptors 1
H Donors 1
TotalSurfaceArea 104.69
Relative PSA 0.10947
PolarSurfaceArea 12.03
Drug-likeness 0.19929
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.22473
Molecular Complexity 0.57807
Fragments 2
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 2
Small Rings 2
Sp3Atoms 9
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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