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Home> Hot Product Listed P   > PB184135060
404013-89-4 structure

PB184135060

Iupac Name:N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-3-carboxamide
CAS No.:404013-89-4
Molecular Weight:264.373
Molecular Formula:C9H11NO2S2 (isomer)
Names and Identifiers
Synonyms

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(phenylsulfanyl)propan-1-one AKOS016453950 MCULE-1197822350 MOLPORT-008-837-245 Z19751039

Inchi
InChI=1S/C14H24N4O/c1-18(2)11-5-9-15-8-4-10-17-14(19)13-6-3-7-16-12-13/h3,6-7,12,15H,4-5,8-11H2,1-2H3,(H,17,19)
InChkey
KPPFAKOQSQNCLH-UHFFFAOYSA-N
Canonical Smiles
CN(C)CCCNCCCNC(=O)C1=CN=CC=C1
Properties
Refractive Index
1.522
Computational chemical data
  • Molecular Weight:264.373g/mol
  • Molecular Formula:C9H11NO2S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.1
  • Exact Mass:264.195
  • Monoisotopic Mass:264.195
  • Complexity:246
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:19
  • 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
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