8-Azaspiro[4.5]decane--hydrogen chloride (1/1)

CAS Number: 1123-30-4
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C(CC1)CC11CCNCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C9H17N
Molecular Weight
139.241
Drug-likeness
-2.5457
CAS
1123-30-4
InChI key
DRTLAKIFUNGWIM-UHFFFAOYSA-N
SMILES
C(CC1)CC11CCNCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1123-30-4
Molecule Name 8-Azaspiro[4.5]decane--hydrogen chloride (1/1)
Molecular Formula HCl.C9H17N
SMILES C(CC1)CC11CCNCC1.Cl
InChI InChI=1S/C9H17N.ClH/c1-2-4-9(3-1)5-7-10-8-6-9;/h10H,1-8H2;1H
InChI Key DRTLAKIFUNGWIM-UHFFFAOYSA-N
CanonicalSyTyLFy 31d82dc860e95ccc
TotalMolweight 175.702
Molecular Weight 139.241
MonoisotopicMass 139.136099
CLogP 1.7361
CLogS -2.088
H Acceptors 1
H Donors 1
TotalSurfaceArea 118.45
Relative PSA 0.09675
PolarSurfaceArea 12.03
Drug-likeness -2.5457
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.15142
Molecular Complexity 0.64378
Fragments 2
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 2
Small Rings 2
Sp3Atoms 10
Symmetricatoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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