N-Hydroxyisonicotinimidamide

Base Information

• Chemical Name: N-Hydroxyisonicotinimidamide
• CAS No.: 1594-57-6
• Molecular Formula: C6H7N3O
• Molecular Weight: 137.141
• Hs Code.: 29333990
• European Community (EC) Number: 625-115-9
• DSSTox Substance ID: DTXSID00936092
• Nikkaji Number: J948.611I
• ChEMBL ID: CHEMBL1896408
• Mol file: 1594-57-6.mol

Synonyms:N-Hydroxyisonicotinimidamide;1594-57-6;N-Hydroxyisonicotinamidine;4-Pyridylamidoxime;Pyridine-4-amidoxime;N'-hydroxypyridine-4-carboximidamide;N-Hydroxy-isonicotinamidine;(Z)-N'-Hydroxyisonicotinimidamide;N'-Hydroxy-4-pyridinecarboximidamide;N'-hydroxyisonicotinimidamide;N'-hydroxypyridine-4-amidine;(Z)-N-hydroxyisonicotinimidamide;CHEMBL1896408;DTXSID00936092;N-hydroxy-4-pyridinecarboxamidine;HMS2803C06;N-hydroxypyridine-4-carboximidamide;AKOS030231500;FT-0655587;P2591

Chemical Property of N-Hydroxyisonicotinimidamide

Chemical Property:

• Melting Point: 128-133 °C(lit.)
• Boiling Point: 350.038 °C at 760 mmHg
• PKA: 13.00±0.50(Predicted)
• Flash Point: 165.497 °C
• PSA: 71.50000
• Density: 1.32 g/cm³
• LogP: 0.87640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.058911855
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

1,4-Dihydropyridin-4-ylidene(nitroso)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=NO)N
• Uses: 4-Pyridylamidoxime may be used in the synthesis of substituted α-1,2,4-oxadiazolo esters.

Technology Process of N-Hydroxyisonicotinimidamide

There total 8 articles about N-Hydroxyisonicotinimidamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

pyridine-4-carbonitrile (100-48-1) → pyridine-4-carboxamidoxime (1594-57-6,849833-58-5)

Guidance literature:

With hydroxylamine; In ethanol; water monomer; at 90 ℃; for 1.16667h;

DOI:10.1021/acs.jmedchem.7b00443

Reference yield: 93.0%

pyridine-4-carbonitrile (100-48-1) → isonicotinamidoxime (1594-57-6,849833-58-5)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; water;

DOI:10.1002/ardp.19933260703

Reference yield: 90.0%

pyridine-4-carbonitrile (100-48-1) → N-hydroxypyridine-4-carboximidamide (1594-57-6)

Guidance literature:

With hydroxyamino hydrochloride; anhydrous sodium carbonate; In ethanol; water monomer; for 6h; Reflux;

DOI:10.1039/c5ra15191k

upstream raw materials:

pyridine-4-carbonitrile

pyridine-4-carboxylic acid

hydroxylamine hydrochloride

Downstream raw materials:

4-[2-(2,4,6-trimethyl-phenyl)-2,3-dihydro-[1,3,5,2]oxadiazaborol-4-yl]-pyridine

4-(2-phenyl-2,3-dihydro-[1,3,5,2]oxadiazaborol-4-yl)-pyridine

(D,L)-5-(2-phenyl-1-tert-butyloxycarbonylaminoethyl)-3-(4-pyridyl)-1,2,4-oxadiazole

C₁₅H₁₃N₃O₂