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Home> Hot Product Listed Z   > Z952732386
54-84-2 structure

Z952732386

Iupac Name:(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
hydrochloride
CAS No.:54-84-2
Molecular Weight:376.9433
Molecular Formula:C23H21N3O5 (isomer)
Names and Identifiers
Synonyms

AKOS007551660 MCULE-1801183647 MOLPORT-015-842-038 n-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[(thiophen-2-yl)methyl]-1h-pyrrole-2-carboxamide ZINC72277226

Inchi
InChI=1/C20H24N2OS.ClH/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17;/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23);1H/b14-13+;
Canonical Smiles
CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
Isomers Smiles
CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2.Cl
Safety and Handling
Safety Statements
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 54-84-2 EC: Z952732386 ·ECHA C&L Inventory for CAS: CAS: 54-84-2 EC: Z952732386
Computational chemical data
  • Molecular Weight:376.9433g/mol
  • Molecular Formula:C23H21N3O5
  • Exact Mass:376.137612
  • Monoisotopic Mass:376.137612
  • Complexity:391
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.6
  • 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:2
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Recommended Suppliers
  • Tel:+86-571-85378921
  • Fax:
  • Tel:+1 216 883-8025
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