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Home> Encyclopedia > Hot Product Listed 2   > 2(1H)-Pyridinimine,1-methyl-, hydriodide (1:1)
760-54-3 structure

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

Iupac Name:2-heptylpropanedioic acid
CAS No.:760-54-3
EINECS(EC#): 244-255-8
Molecular Weight:202.24752
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=1/C10H18O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChkey
YSFZWUJOBANROZ-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCC(C(=O)O)C(=O)O
Properties
Density
1.375
Boiling Point
276.9°Cat760mmHg
Refractive Index
1.473
Flash Point
291.2 °C
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:202.24752g/mol
  • Molecular Formula:C24H16N2O4S
  • XLogP3-AA:2.6
  • Exact Mass:202.120509
  • Monoisotopic Mass:202.120509
  • Complexity:175
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6
  • Heavy Atom Count:14
  • 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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