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2-Azaspiro[4.4]nonane

CAT: 0127-OR1074121-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1074121-01Size:100 mg
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CAS Number
175-94-0
MDL Number
MFCD06808628
Purity
98%
Smiles
C1NCCC12CCCC2

Chemical Information

2-Azaspiro(4.4)nonane
CAS Number175-94-0
PubChem CID418904
IUPAC Name2-azaspiro[4.4]nonane
Molecular FormulaC8H15N
Molecular Weight125.21
XLogP1.6
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity103
SMILES
C1CCC2(C1)CCNC2
InChI
InChI=1S/C8H15N/c1-2-4-8(3-1)5-6-9-7-8/h9H,1-7H2
InChIKey
NINJAJLCZUYDGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Azaspiro(4.4)nonane
CAS: 175-94-0
CID: 418904
Formula: C8H15N
MW: 125.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight125.21
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass125.120449483
Monoisotopic Mass125.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
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