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Home> Hot Product Listed S   > Spiro[cyclohexane-1,2'-[1,3]dioxino[4,5,6-hi]indolizin]-8'-amine,N-butyl-N-ethyloctahydro-9'-(methox...
1168139-52-3 structure

Spiro[cyclohexane-1,2'-[1,3]dioxino[4,5,6-hi]indolizin]-8'-amine,N-butyl-N-ethyloctahydro-9'-(methoxymethoxy)-, [3'aS-(3'aa,8'a,9'b,9'ab,9'ba)]- (9CI)

Iupac Name:(1R)-1-(3-chlorophenyl)propan-1-amine
CAS No.:1168139-52-3
Molecular Weight:169.652
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Spirocyclohexane-1,2-1,3dioxino4,5,6-hiindolizin-8-amine, N-butyl-N-ethyloctahydro-9-(methoxymethoxy)-, 3aS-(3a.alpha.,8.alpha.,9.beta.,9a.beta.,9b.alpha.)-

Inchi
InChI=1S/C9H12ClN/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9H,2,11H2,1H3/t9-/m1/s1
InChkey
PLIWCUPYMOIFAV-SECBINFHSA-N
Canonical Smiles
CCC(C1=CC(=CC=C1)Cl)N
Reach Info
Computational chemical data
  • Molecular Weight:169.652g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:169.066
  • Monoisotopic Mass:169.066
  • Complexity:116
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByAAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIQAAAADCrBGCQyAIBAAACA AiBCAACCAAAgBQAIiIAABogIICKBkxGAIABgkAAIiAcQgIAOAAAAIAAAAAAAAABAAAAAAAAAAAAA AA==
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