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Home> Encyclopedia > Hot Product Listed 2   > 2(1H)-Pyridinimine,1-methyl-, hydriodide (1:1)
93643-24-4 structure

2(1H)-Pyridinimine,1-methyl-, hydriodide (1:1)

Iupac Name:(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CAS No.:93643-24-4
EINECS(EC#): 244-255-8
Molecular Weight:126.2
Molecular Formula:C24H16N2O4S (isomer)
Names and Identifiers
Synonyms

16503P 2(1H)-Pyridinimine,1-methyl-, monohydriodide (8CI,9CI) 2-amino-1-methylpyridin-1-ium iodide 2-Amino-1-methylpyridinium iodide 2-Aminopyridine methiodide 2-Aminopyridinium iodomethylate AKOS001033946 DTXSID30219906 MCULE-2743273539 MOLPORT-000-653-577 NE56842 N-Methyl-2-aminopyridinium iodide NSC 66686 nsc66686 nsc-66686

Inchi
InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m1/s1
InChkey
FTTATHOUSOIFOQ-SSDOTTSWSA-N
Canonical Smiles
C1CC2CNCCN2C1
Properties
Density
1.375
Boiling Point
276.9°Cat760mmHg
Refractive Index
1.534
Flash Point
291.2 °C
HS Code
2933990090
Safety and Handling
Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 525mg/kg (525mg/kg)   Eksperimentalna Meditsina i Morfologiya. Vol. 18, Pg. 98, 1979.
rat LD50 subcutaneous 1863mg/kg (1863mg/kg)   Eksperimentalna Meditsina i Morfologiya. Vol. 18, Pg. 98, 1979.

Computational chemical data
  • Molecular Weight:126.2g/mol
  • Molecular Formula:C24H16N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:126.116
  • Monoisotopic Mass:126.116
  • Complexity:103
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:15.3A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • 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: AAADccBjAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgAAAAAHAAQAAAACCjBAAQAAAPAAAAA AAAAAAAAAAAAAAAAAIAIAAAAQAIAgAAUAAAAEACAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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