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Home> Encyclopedia > Hot Product Listed 2   > 2-Piperidinimine,1-chloro-
5174-68-5 structure

2-Piperidinimine,1-chloro-

CAS No.:5174-68-5
Molecular Weight:335.35658
Molecular Formula:C19H17N3O3 (isomer)
Names and Identifiers
Synonyms

Piperidine,1-chloro-2-imino- (7CI,8CI)

Inchi
InChI=1/C19H17N3O3/c1-21(2)14-10-8-13(9-11-14)12-16-17(23)20-19(25)22(18(16)24)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,23,25)/b16-12-
Canonical Smiles
CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3
Isomers Smiles
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC=C3
Properties
Density
1.325
Refractive Index
1.675
Computational chemical data
  • Molecular Weight:335.35658g/mol
  • Molecular Formula:C19H17N3O3
  • Exact Mass:335.126991
  • Monoisotopic Mass:335.126991
  • Complexity:571
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:69.7
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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