6,9-Diazaspiro[4.5]decane--hydrogen chloride (1/2)

CAS Number: 145122-55-0
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C(CC1)CC11NCCNC1.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.HCl.C8H16N2
Molecular Weight
140.229
Drug-likeness
-0.6469
CAS
145122-55-0
InChI key
DXSGNKYVWDGHOR-UHFFFAOYSA-N
SMILES
C(CC1)CC11NCCNC1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 145122-55-0
Molecule Name 6,9-Diazaspiro[4.5]decane--hydrogen chloride (1/2)
Molecular Formula HCl.HCl.C8H16N2
SMILES C(CC1)CC11NCCNC1.Cl.Cl
InChI InChI=1S/C8H16N2.2ClH/c1-2-4-8(3-1)7-9-5-6-10-8;;/h9-10H,1-7H2;2*1H
InChI Key DXSGNKYVWDGHOR-UHFFFAOYSA-N
CanonicalSyTyLFy 16e063685bf6b880
TotalMolweight 213.151
Molecular Weight 140.229
MonoisotopicMass 140.131348
CLogP 0.4505
CLogS -1.213
H Acceptors 2
H Donors 2
TotalSurfaceArea 116.15
Relative PSA 0.19733
PolarSurfaceArea 24.06
Drug-likeness -0.6469
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.18729
Molecular Complexity 0.64378
Fragments 3
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 2
Small Rings 2
Sp3Atoms 10
Symmetricatoms 2
Amines 2
AlkylAmines 2
BasicNitrogens 2

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