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Home> Encyclopedia > Hot Product Listed 5   > 5H-Benzocyclohepten-5-amine,6,7,8,9-tetrahydro-, hydrochloride (1:1)
38251-37-5 structure

5H-Benzocyclohepten-5-amine,6,7,8,9-tetrahydro-, hydrochloride (1:1)

Iupac Name:sodium;3-methylbenzenesulfonate
CAS No.:38251-37-5
Molecular Weight:194.18
Molecular Formula:C3H3NO2 (isomer)
Names and Identifiers
Synonyms

5H-Benzocyclohepten-5-amine,6,7,8,9-tetrahydro-, hydrochloride (6CI,7CI,8CI,9CI) 6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-AMINE HCL 6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-AMINE HYDROCHLORIDE Benzocycloheptyl-1-aminehydrochloride

Inchi
InChI=1S/C7H8O3S.Na/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChkey
WGGICLLPYNXXCK-UHFFFAOYSA-M
Canonical Smiles
CC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]
Properties
Density
1.284
Boiling Point
510.6°C at 760 mmHg
Flash Point
333.5°C
Computational chemical data
  • Molecular Weight:194.18g/mol
  • Molecular Formula:C3H3NO2
  • Compound Is Canonicalized:True
  • Exact Mass:194.001
  • Monoisotopic Mass:194.001
  • Complexity:219
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:65.6A^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:2
  • CACTVS Substructure Key Fingerprint: AAADcYBgMCBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAQAAAAADACAWAAyAYAAAAKA AiBCAHBCAEAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgAAOAAAAgAAAAAAAAAEAAAAAAAAAAAAA AA==
 
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