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Home> Encyclopedia > Hot Product Listed 1   > 1H-Indole-3-ethanamine,5-chloro-, hydrochloride (1:?)
55747-73-4 structure

1H-Indole-3-ethanamine,5-chloro-, hydrochloride (1:?)

CAS No.:55747-73-4
EINECS(EC#): 259-789-7
Molecular Weight:231.12168
Molecular Formula:C10H12Cl2N2 (isomer)
Names and Identifiers
Synonyms

1H-Indole-3-ethanamine,5-chloro-, hydrochloride (9CI)

Inchi
InChI=1/C10H11ClN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H
Canonical Smiles
C1=CC2=C(C=C1Cl)C(=CN2)CCN.Cl
Properties
Boiling Point
375.7°Cat760mmHg
Flash Point
181°C
Computational chemical data
  • Molecular Weight:231.12168g/mol
  • Molecular Formula:C10H12Cl2N2
  • Exact Mass:230.037754
  • Monoisotopic Mass:230.037754
  • Complexity:174
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:41.8
  • Heavy Atom Count:14
  • 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
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