1-(Diaminomethylidene)-2-(4-methylphenyl)guanidine

Base Information

• Chemical Name: 1-(Diaminomethylidene)-2-(4-methylphenyl)guanidine
• CAS No.: 15233-33-7
• Molecular Formula: C9H13N5
• Molecular Weight: 191.236
• European Community (EC) Number: 852-344-3
• DSSTox Substance ID: DTXSID60369640
• Nikkaji Number: J771.645A
• ChEMBL ID: CHEMBL291064
• Mol file: 15233-33-7.mol

Synonyms:15233-33-7;1-(diaminomethylidene)-2-(4-methylphenyl)guanidine;1-(p-tolyl)biguanide;4-Methyl-Phenyl biguanide;CHEMBL291064;N-(4-methylphenyl)imidodicarbonimidic diamide;a-p-Tolyl-biguanid;N-(p-tolyl)biguanide;1-(4-methylphenyl)biguanide;1-carbamimidamido-N-(4-methylphenyl)methanimidamide;MLS000769486;SCHEMBL650677;SCHEMBL19038561;DTXSID60369640;ILEIGUXOYKZHRK-UHFFFAOYSA-N;HMS2788H23;BDBM50053630;STK102293;AKOS002225119;AKOS003663140;PD129713;SMR000434199;EN300-6732101;N-(4-methylphenyl)dicarbonimido/ic diamide/imido;AH-478/02713030;Z56791581

Chemical Property of 1-(Diaminomethylidene)-2-(4-methylphenyl)guanidine

Chemical Property:

• Boiling Point: 299.5±33.0 °C(Predicted)
• PKA: 11.67±0.10(Predicted)
• PSA: 97.78000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 2.18840
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 191.11709544
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

N-(Diaminomethylene)-N'-(4-methylphenyl)guanidinehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N=C(N)N=C(N)N

Technology Process of 1-(Diaminomethylidene)-2-(4-methylphenyl)guanidine

There total 3 articles about 1-(Diaminomethylidene)-2-(4-methylphenyl)guanidine 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: 66.0%

p-toluidine hydrochloride (540-23-8) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 1-(p-tolyl)biguanide (15233-33-7)

Guidance literature:

In water; for 12h; Heating;

DOI:10.1002/chem.200390122

Reference yield:

p-toluidine (106-49-0,12221-03-3) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 1-(p-tolyl)biguanide (15233-33-7)

Guidance literature:

p-toluidine; N-Cyanoguanidine; With hydrogenchloride; In water; at 90 ℃; for 18h;

at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2014.10.122

Reference yield:

→ 1-(p-tolyl)biguanide (15233-33-7)

Guidance literature:

p-Toluidinhydrochlorid, Dicyandiamid;

DOI:10.1021/jm00312a015

upstream raw materials:

p-toluidine hydrochloride

N-Cyanoguanidine

p-toluidine

Downstream raw materials:

N-p-tolyl-[1,3,5]triazine-2,4-diamine

N-(4,5-dioxo-4,5-dihydro-1H-imidazol-2-yl)-N'-p-tolyl-guanidine

4-amino-6-(4-methyl-anilino)-[1,3,5]triazine-2-carboxylic acid ethyl ester

methyl 4-amino-6-(p-tolylamino)-1,3,5-triazine-2-carboxylate