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1-Methyl-1,7-diazaspiro[4.4]nonane structure

1-Methyl-1,7-diazaspiro[4.4]nonane

 
1. Names and Identifiers
1.1 Name
1-Methyl-1,7-diazaspiro[4.4]nonane
1.2 Synonyms
1,7-Diazaspiro[4.4]nonane, 1-Methyl-; 1-methyl-1,7-diazaspiro[4.4]nonane dihydrochloride;
1.3 CAS No.
1158749-77-9
1.4 CID
52988115
1.5 Molecular Formula
C8H16N2
1.6 Inchi
InChI=1S/C8H16N2/c1-10-6-2-3-8(10)4-5-9-7-8/h9H,2-7H2,1H3
1.7 InChkey
ADMXMXNXEITSAX-UHFFFAOYSA-N
1.8 Canonical Smiles
CN1CCCC12CCNC2
1.9 Isomers Smiles
CN1CCCC12CCNC2
2. Synthesis Route
1158749-77-9Total: 1 Synthesis Route
   
1158749-77-9
1158749-77-9 10 Suppliers
3. Precursor and Product
precursor:
4. Computed Properties
  • Molecular Weight:140.23g/mol
  • Molecular Formula:C8H16N2
  • Compound Is Canonicalized:True
  • Exact Mass:0.3
  • XLogP3-AA:140.131348519
  • Monoisotopic Mass:140.131348519
  • Complexity:135
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:15.3
  • Heavy Atom Count::10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADceBzAAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAAAAAAHAAQAAAADIjBAAQCAAPAAAAAAAAAAAAAAAAAAAAAAIAIAAAAQAIAwAAUAAAAEACAAAEQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Toltal 10 Suppliers View more
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6. Realated Product Infomation
 
 
 
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