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Home> Hot Product Listed 4   > (4-Chloropyridin-2-yl)methanamine hydrochloride
944154-76-1 structure

(4-Chloropyridin-2-yl)methanamine hydrochloride

Iupac Name:5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CAS No.:944154-76-1
Molecular Weight:471.766
Molecular Formula:C10H20N2O2 (isomer)
Names and Identifiers
Synonyms

1-(4-chloropyridin-2-yl)methanamine hydrochloride AK164315 AKOS025117433 DS-8537 KS-00000SRZ mfcd27922008 MOLPORT-035-789-756 SC-33920 ST24034672

Inchi
InChI=1S/C23H17Cl3N4O/c1-14-21(23(31)28-13-15-3-2-10-27-12-15)29-30(20-9-8-18(25)11-19(20)26)22(14)16-4-6-17(24)7-5-16/h2-12H,13H2,1H3,(H,28,31)
InChkey
PJEIKJFNEFJFLA-UHFFFAOYSA-N
Canonical Smiles
CC1=C(N(N=C1C(=O)NCC2=CN=CC=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl
Computational chemical data
  • Molecular Weight:471.766g/mol
  • Molecular Formula:C10H20N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:470.047
  • Monoisotopic Mass:470.047
  • Complexity:603
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:59.8A^2
  • Heavy Atom Count:31
  • 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: AAADceB7oAAGAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB9AAAHgIYAAAADArBniQ+wJLIEACq AzV3VACShCA3ByAY2KG4ZtgIYPLB19HUpQhgjgDIyQcciMCOBABAAACAABAIAIAAAQAAIAAAAAAA AA==
 
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