Isonicotinic acid, 2-(amidinoamidino)hydrazide

Base Information

• Chemical Name: Isonicotinic acid, 2-(amidinoamidino)hydrazide
• CAS No.: 16827-13-7
• Molecular Formula: C₈H₁₁N₇O
• Molecular Weight: 221.222
• NSC Number: 6855
• UNII: 8QJ12OS9NW
• DSSTox Substance ID: DTXSID60168539
• Mol file: 16827-13-7.mol

Synonyms:ISONICOTINIC ACID, 2-(AMIDINOAMIDINO)HYDRAZIDE;NSC 6855;16827-13-7;8QJ12OS9NW;Isonicotinamide, N-(3-amidinoguanidino)-;NSC-6855;2-(Amidinoamidino)hydrazide isonicotinic acid;NSC6855;UNII-8QJ12OS9NW;SCHEMBL2998336;DTXSID60168539;LS-84846;4-PYRIDINECARBOXYLIC ACID, 2-(((AMINOIMINOMETHYL)AMINO)IMINOMETHYL)HYDRAZIDE

Chemical Property of Isonicotinic acid, 2-(amidinoamidino)hydrazide

Chemical Property:

• Density: 1.58g/cm³
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.10250800
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=O)NN=C(N)N=C(N)N
• Isomeric SMILES: C1=CN=CC=C1C(=O)N/N=C(\N)/N=C(N)N

Technology Process of Isonicotinic acid, 2-(amidinoamidino)hydrazide

There total 3 articles about Isonicotinic acid, 2-(amidinoamidino)hydrazide 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:

isoniazid (54-85-3,7640-37-1) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → C8H11N7O (16827-13-7)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 8h; Reflux;

DOI:10.1016/j.jfluchem.2010.08.002

Reference yield:

isoniazid (54-85-3,7640-37-1) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → Isonicotinoylamino-diguanid (16827-13-7)

Guidance literature:

With methanol;

Reference yield:

isonicotinic acid hydrazide; hydrochloride (1123-87-1) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → Isonicotinoylamino-diguanid (16827-13-7)

Guidance literature:

With ethanol;

upstream raw materials:

isoniazid

N-Cyanoguanidine

isonicotinic acid hydrazide; hydrochloride