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Home> Encyclopedia > Hot Product Listed 2   > 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with 4-nitrobenzenamine and ...
197171-08-7 structure

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with 4-nitrobenzenamine and resorcinol

Iupac Name:[1-(4-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CAS No.:197171-08-7
Molecular Weight:218.121
Molecular Formula:C9H9N (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H12ClN.ClH/c11-9-3-1-8(2-4-9)10(7-12)5-6-10;/h1-4H,5-7,12H2;1H
InChkey
IKWXZFQVNVITTM-UHFFFAOYSA-N
Canonical Smiles
C1CC1(CN)C2=CC=C(C=C2)Cl.Cl
Properties
Density
1.147
Boiling Point
352.4℃ at760mmHg
Flash Point
95.9°C
Computational chemical data
  • Molecular Weight:218.121g/mol
  • Molecular Formula:C9H9N
  • Compound Is Canonicalized:True
  • Exact Mass:217.043
  • Monoisotopic Mass:217.043
  • Complexity:157
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:13
  • 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: AAADccByAAAGAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHAIQAAAADgLBGCQwAIBAAACA AiBCAAACAAAgBQAIiIAAAogIICKBkxGAIAAggAAIiAcQgMAPhAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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