1-carbamimidamido-N-(2-methylphenyl)methanimidamide hydrochloride

Base Information

• Chemical Name: 1-carbamimidamido-N-(2-methylphenyl)methanimidamide hydrochloride
• CAS No.: 4751-99-9
• Molecular Formula: C9H13 N5 . Cl H
• Molecular Weight: 227.697
• NSC Number: 3275
• DSSTox Substance ID: DTXSID70197178
• Mol file: 4751-99-9.mol

Synonyms:4751-99-9;1-carbamimidamido-N-(2-methylphenyl)methanimidamide hydrochloride;Imidodicarbonimidicdiamide, N-(2-methylphenyl)-, hydrochloride (1:1);O-TOLYL BIGUANIDE HYDROCHLORIDE;1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;hydrochloride;BIGUANIDE, 1-o-TOLYL-, MONOHYDROCHLORIDE;o-Tolylbiguanide hydrochloride;2-tolylbiguanide hydrochloride;SCHEMBL15513356;DTXSID70197178;NSC3275;NSC-3275;AKOS024345725;CS-0306116;EN300-59468;N-(DIAMINOMETHYLIDENE)-N''-(2-METHYLPHENYL)GUANIDINE HYDROCHLORIDE;Guanidine, N''-[(E)-amino[(2-methylphenyl)imino]methyl]-, hydrochloride (1:1)

Chemical Property of 1-carbamimidamido-N-(2-methylphenyl)methanimidamide hydrochloride

Chemical Property:

• Vapor Pressure: 5.63E-07mmHg at 25°C
• Boiling Point: 411.3°Cat760mmHg
• Flash Point: 202.6°C
• PSA: 97.78000
• Density: 1.29g/cm³
• LogP: 2.99040
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 227.0937732
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

1-CARBAMIMIDAMIDO-N-(2-METHYLPHENYL)METHANIMIDAMIDE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N=C(N)N=C(N)N.Cl

Technology Process of 1-carbamimidamido-N-(2-methylphenyl)methanimidamide hydrochloride

There total 3 articles about 1-carbamimidamido-N-(2-methylphenyl)methanimidamide hydrochloride 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: 73.0%

1-(o-tolyl)biguanide → 1-(o-tolyl)biguanidium chloride (4751-99-9)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 0.75h;

DOI:10.1107/S2053229620006336

Reference yield:

(o-tolyl)-biguanide (93-69-6) → 1-(o-tolyl)biguanide hydrochloride (4751-99-9)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 2h; Heating;

DOI:10.1002/aoc.5807

Reference yield:

N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) + o-toluidine (95-53-4) → 1-(o-tolyl)biguanide hydrochloride (4751-99-9)

Guidance literature:

With hydrogenchloride; In water; Reflux;

DOI:10.1007/s00044-011-9574-8

upstream raw materials:

N-Cyanoguanidine

o-toluidine

(o-tolyl)-biguanide

Downstream raw materials:

6-(chloromethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-{[4-(4-bromobenzylideneamino)-5-phenyl-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-o-tolyl-1,3,5-triazine-2,4-diamine

6-{[4-(benzylideneamino)-5-phenyl-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-o-tolyl-1,3,5-triazine-2,4-diamine

6-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-o-tolyl-1,3,5-triazine-2,4-diamine

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