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Home> Hot Product Listed T   > T6769783
59827-64-4 structure

T6769783

Iupac Name:2-chloro-4-[(4-nitrophenyl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)
aniline chloride
CAS No.:59827-64-4
Molecular Weight:418.27658
Molecular Formula:C22H19N3O3 (isomer)
Names and Identifiers
Synonyms

MCULE-7422461506 methyl 2-(3,4-dichlorophenyl)-2-[methyl({[2-methyl-4-(pyrrolidin-1-yl)phenyl]carbamoyl}methyl)amino]acetate MOLPORT-009-119-973 Z994892632

Inchi
InChI=1/C19H17ClN5O2.ClH/c20-18-14-16(23-22-15-4-7-17(8-5-15)25(26)27)6-9-19(18)21-10-13-24-11-2-1-3-12-24;/h1-9,11-12,14,21H,10,13H2;1H/q+1;/p-1/b23-22+;
Canonical Smiles
C1=CC=[N+](C=C1)CCNC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])Cl.[Cl-]
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 59827-64-4 EC: T6769783 ·ECHA C&L Inventory for CAS: CAS: 59827-64-4 EC: T6769783
Computational chemical data
  • Molecular Weight:418.27658g/mol
  • Molecular Formula:C22H19N3O3
  • Exact Mass:417.07593
  • Monoisotopic Mass:417.07593
  • Complexity:487
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:86.4
  • Heavy Atom Count:28
  • 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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