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4,9-Diazadispiro[2.2.2.2]decane

CAT: 0127-OR1069373-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1069373-01Size:50 mg
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CAS Number
62509-93-7
MDL Number
MFCD27926554
Purity
97%
Smiles
C1CC12NCC3(NC2)CC3

Chemical Information

4,9-Diazadispiro[2.2.2.2]decane
CAS Number62509-93-7
PubChem CID67426365
IUPAC Name5,10-diazadispiro[2.2.26.23]decane
Molecular FormulaC8H14N2
Molecular Weight138.21
XLogP-0.1
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity148
SMILES
C1CC12CNC3(CC3)CN2
InChI
InChI=1S/C8H14N2/c1-2-7(1)5-10-8(3-4-8)6-9-7/h9-10H,1-6H2
InChIKey
XJJYEZQLBOXGPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,9-Diazadispiro[2.2.2.2]decane
CAS: 62509-93-7
CID: 67426365
Formula: C8H14N2
MW: 138.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.21
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass138.115698455
Monoisotopic Mass138.115698455
Topological Polar Surface Area24.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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