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Home> Hot Product Listed S   > Spiro[benzo[b]cyclopenta[e][1,4]diazepine-10(9H),1'-cyclopentane]-9-methanamine,1,2,3,10a-tetrahydro...
608515-72-6 structure

Spiro[benzo[b]cyclopenta[e][1,4]diazepine-10(9H),1'-cyclopentane]-9-methanamine,1,2,3,10a-tetrahydro-N-(1-methyl-2-phenylethyl)-

Iupac Name:6-fluoroisoquinolin-5-amine
CAS No.:608515-72-6
Molecular Weight:162.167
Molecular Formula:C26H52O4SN (isomer)
Names and Identifiers
Synonyms

({2',9'-diazaspiro[cyclopentane-1,8'-tricyclo[8.4.0.0(3),?]tetradecane]-1'(10'),2',11',13'-tetraen-9'-yl}methyl)(1-phenylpropan-2-yl)amine 1-phenyl-n-(spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylmethyl)propan-2-amine AC1MIQFB LS-145815 PL044986 spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9h),1'-cyclopentane)-9-methanamine, 1,2,3,10a-tetrahydro-n-(1-methyl-2-phenylethyl)-

Inchi
InChI=1S/C9H7FN2/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H,11H2
InChkey
XYUSNQJXESDQTO-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C2=C1C=NC=C2)N)F
Computational chemical data
  • Molecular Weight:162.167g/mol
  • Molecular Formula:C26H52O4SN
  • Compound Is Canonicalized:True
  • Exact Mass:162.059
  • Monoisotopic Mass:162.059
  • Complexity:163
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:38.9A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • 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: AAADcYBzAQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHQAQAAAADAjBGgw8wNJIEACg AjRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAOgAAAQAASAAAAAACAACQAAAAAAAAA AA==
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