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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanol,1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-[4-[4-(2-thienyl)-1H-imidazol-2-yl]phenoxy]-,di...
942579-56-8 structure

2-Propanol,1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-[4-[4-(2-thienyl)-1H-imidazol-2-yl]phenoxy]-,dihydrochloride, (2S)- (9CI)

Iupac Name:8-(bromomethyl)isoquinoline
CAS No.:942579-56-8
Molecular Weight:222.085
Molecular Formula:C19H20CLN3O (isomer)
Names and Identifiers
Synonyms

2-Propanol,1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-[4-[4-(2-thienyl)-1H-imidazol-2-yl]phenoxy]-,dihydrochloride, (S)- L 643717

Inchi
InChI=1S/C10H8BrN/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-5,7H,6H2
InChkey
HMNMLTSJDRYDLV-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=NC=C2)C(=C1)CBr
Properties
Density
0.956
Boiling Point
577.3°C at 760 mmHg
Refractive Index
1.673
Flash Point
152.9°C
Computational chemical data
  • Molecular Weight:222.085g/mol
  • Molecular Formula:C19H20CLN3O
  • Compound Is Canonicalized:True
  • Exact Mass:220.984
  • Monoisotopic Mass:220.984
  • Complexity:149
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9A^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: AAADccByAAAAEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHABAAAABTADBGgQ8gNIIEACg AjBnRACCgCAxAiAI2CA4ZLgIIGLAkZGEIAhggADIyBcQgMAOgAACAAAQAAAAAAQAACAAAAAAAAAA AA==
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