N-(Aminoiminomethyl)-N'-(2,6-diethylphenyl)urea

Base Information

• Chemical Name: N-(Aminoiminomethyl)-N'-(2,6-diethylphenyl)urea
• CAS No.: 55832-01-4
• Molecular Formula: C12H18N4O
• Molecular Weight: 234.3
• DSSTox Substance ID: DTXSID50971236
• Nikkaji Number: J58.066J
• Mol file: 55832-01-4.mol

Synonyms:N-(Aminoiminomethyl)-N'-(2,6-diethylphenyl)urea;55832-01-4;BRN 2131528;1-(diaminomethylidene)-3-(2,6-diethylphenyl)urea;1-Amidino-3-(2,6-diethylphenyl)-urea;Urea, 1-amidino-3-(2,6-diethylphenyl)-;Urea, N-(aminoiminomethyl)-N'-(2,6-diethylphenyl)-;SCHEMBL10939575;DTXSID50971236;LS-158836;N-Carbamimidoyl-N'-(2,6-diethylphenyl)carbamimidic acid

Chemical Property of N-(Aminoiminomethyl)-N'-(2,6-diethylphenyl)urea

Chemical Property:

• Density: 1.19g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 234.14806121
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

N-(AMINOIMINOMETHYL)-N'-(2,6-DIETHYLPHENYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)N=C(N)N

Technology Process of N-(Aminoiminomethyl)-N'-(2,6-diethylphenyl)urea

There total 3 articles about N-(Aminoiminomethyl)-N'-(2,6-diethylphenyl)urea 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: 38.0%

2,6-diethylphenylisocyanate (20458-99-5) + guanidine hydrochloride (50-01-1) → 1-(2',6'-diethylphenyl)-3-amidinourea (55832-01-4)

Guidance literature:

With sodium hydroxide; In water; acetone; Reflux;

DOI:10.1021/acs.jmedchem.1c01565

Reference yield:

2,6-diethylphenylisocyanate (20458-99-5) + guanidine nitrate (113-00-8) → 1-(2',6'-diethylphenyl)-3-amidinourea (55832-01-4)

Guidance literature:

Reference yield:

→ 1-(2',6'-diethylphenyl)-3-amidinourea (55832-01-4)

Guidance literature:

upstream raw materials:

2,6-diethylphenylisocyanate

guanidine nitrate

guanidine hydrochloride

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