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2,8-Diazaspiro[4.5]decane

CAT: 0926-AAA17667-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-AAA17667-01Size:1 g
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CAS Number
176-67-0
MDL Number
MFCD16877059
Smiles
C1CNCCC12CCNC2
Molecular Formula
C8H16N2
Molecular Weight
140.23 g/mol
Controlled
No

Chemical Information

2,8-Diazaspiro(4.5)decane
CAS Number176-67-0
PubChem CID19375496
IUPAC Name2,8-diazaspiro[4.5]decane
Molecular FormulaC8H16N2
Molecular Weight140.23
XLogP0.1
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
C1CNCCC12CCNC2
InChI
InChI=1S/C8H16N2/c1-4-9-5-2-8(1)3-6-10-7-8/h9-10H,1-7H2
InChIKey
WYZZNMWIWHRXRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,8-Diazaspiro(4.5)decane
CAS: 176-67-0
CID: 19375496
Formula: C8H16N2
MW: 140.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight140.23
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass140.131348519
Monoisotopic Mass140.131348519
Topological Polar Surface Area24.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
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