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Home> Hot Product Listed T   > T6421946
1214379-46-0 structure

T6421946

Iupac Name:3-pyridin-4-ylpyridin-4-amine
CAS No.:1214379-46-0
Molecular Weight:171.203
Molecular Formula:C17H25NO2 (isomer)
Names and Identifiers
Synonyms

MCULE-2550858282 MOLPORT-009-631-050 n-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}propanamide Z327272164 ZINC36390670

Inchi
InChI=1S/C10H9N3/c11-10-3-6-13-7-9(10)8-1-4-12-5-2-8/h1-7H,(H2,11,13)
InChkey
KTXOCBWQPQKDNK-UHFFFAOYSA-N
Canonical Smiles
C1=CN=CC=C1C2=C(C=CN=C2)N
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:171.203g/mol
  • Molecular Formula:C17H25NO2
  • Compound Is Canonicalized:True
  • Exact Mass:171.08
  • Monoisotopic Mass:171.08
  • Complexity:154
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.8A^2
  • Heavy Atom Count:13
  • 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHAAQAAAADAjBGgQ8wJJIEACg AjRnRACCgCAxAiAI2CA4ZJgIIGLA0dGEJAhgkADIyAcQgAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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