4-Carbamoylbenzene-1-carboximidamidium

Base Information

• Chemical Name: 4-Carbamoylbenzene-1-carboximidamidium
• CAS No.: 59855-11-7
• Molecular Formula: C8H10ClN3O
• Molecular Weight: 199.64
• Hs Code.: 29310099
• DSSTox Substance ID: DTXSID50975259
• Wikidata: Q82959769
• Mol file: 59855-11-7.mol

Synonyms:DTXSID50975259;4-Carbamoylbenzene-1-carboximidamidium

Chemical Property of 4-Carbamoylbenzene-1-carboximidamidium

Chemical Property:

• Appearance/Colour: white fine powder
• Vapor Pressure: 4.45E-05mmHg at 25°C
• Melting Point: 302-303 °C
• Boiling Point: 350.3 °C at 760 mmHg
• Flash Point: 165.6 °C
• PSA: 92.96000
• LogP: 2.37190
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: H2O: 20 mg/mL, clear, colorless
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.082386951
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Carbamimidoylbenzamidehydrochloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=[NH2+])N)C(=O)N

Technology Process of 4-Carbamoylbenzene-1-carboximidamidium

There total 5 articles about 4-Carbamoylbenzene-1-carboximidamidium 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: 62.0%

→ 5-amino-2-(4-pyridino)pyrimidine + 4-carbamoylbenzamidine hydrochloride (59855-11-7)

Guidance literature:

Reference yield:

4-cyanobenzamide (3034-34-2) → 4-carbamoylbenzamidine hydrochloride (59855-11-7)

Guidance literature:

With ammonium carbonate; In methanol; sulfuric acid;

Reference yield:

imidoether + 4-cyanobenzoic acid methyl ester (1129-35-7) → 4-carbamoylbenzamidine hydrochloride (59855-11-7)

Guidance literature:

With ammonia; In methanol; benzene;

upstream raw materials:

4-cyanobenzamide

4-cyanobenzoic acid methyl ester

Downstream raw materials:

2,4-bis<(4-carbamoyl)phenyl>-1,3,5-triazine

chlorure de N-(diethylamino-2 ethyl)carboxamido-4 benzamidinium

4-(thiocarbamoyl)benzamide

4-(5-hexylpyrimidin-2-yl)benzoic acid