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Home> Encyclopedia > Hot Product Listed 5   > 5H-Benzocyclohepten-7-amine,5-(4-bromophenoxy)-6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride, cis-...
562085-85-2 structure

5H-Benzocyclohepten-7-amine,5-(4-bromophenoxy)-6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride, cis- (9CI)

Iupac Name:N-(4-methoxyphenyl)pyridin-3-amine
CAS No.:562085-85-2
Molecular Weight:200.241
Molecular Formula:C32H50I2N4 (isomer)
Names and Identifiers
Synonyms

(5r,7r)-5-(4-bromophenoxy)-n,n-dimethyl-6,7,8,9-tetrahydro-5 (5r,7r)-5-(4-bromophenoxy)-n,n-dimethyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-7-amine hydrochloride 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-5-(4-bromophenoxy)-N,N -dimethyl-, hydrochloride, cis- 5h-benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-5-(4-bromophenoxy)-n,n-dimethyl-, hydrochloride, cis- cis-5-((4-bromophenyl)oxy)-n,n-dimethyl-6,7,8,9-tetrahydro-5h-benzocyclohepten-7-amine hcl DTXSID70222893 LS-33832

Inchi
InChI=1S/C12H12N2O/c1-15-12-6-4-10(5-7-12)14-11-3-2-8-13-9-11/h2-9,14H,1H3
InChkey
XDMWLYBEGIABST-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)NC2=CN=CC=C2
Properties
Density
0.952
Flash Point
243.1°C
Computational chemical data
  • Molecular Weight:200.241g/mol
  • Molecular Formula:C32H50I2N4
  • Compound Is Canonicalized:True
  • Exact Mass:200.095
  • Monoisotopic Mass:200.095
  • Complexity:179
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:34.2A^2
  • Heavy Atom Count:15
  • 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: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAACAzBkgY+xpLIFACg ADRnRACCiCAxMiAI2CA+fJgMZuLEsZuUMChk0BHI6AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAA AA==
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