4-Aminobenzamidine hydrochloride

Base Information

• Chemical Name: 4-Aminobenzamidine hydrochloride
• CAS No.: 7761-72-0
• Molecular Formula: C₇H₉N₃*ClH
• Molecular Weight: 171.63
• Hs Code.: 2925290090
• European Community (EC) Number: 675-042-1
• NSC Number: 56418
• DSSTox Substance ID: DTXSID10228278
• ChEMBL ID: CHEMBL545184
• Mol file: 7761-72-0.mol

Synonyms:4-Aminobenzamidine hydrochloride;7761-72-0;4-aminobenzamidine hcl;Benzenecarboximidamide, 4-amino-, monohydrochloride;4-Amino-benzamidine hydrochloride;p-Aminobenzamidine hydrochloride;Benzamidine, p-amino-, monohydrochloride;4-Aminobenzenecarboximidamide monohydrochloride;4-aminobenzenecarboximidamide;hydrochloride;CHEMBL545184;4-AMINOBENZIMIDAMIDE HCL;4-aminobenzene-1-carboximidamide hydrochloride;4-aminobenzimidamide hydrochloride;NSC-56418;4-Amino-benzamidinehydrochloride;p-aminobenzamidine hcl;4-aminobenzenecarboximidamide hydrochloride;4-Amino-Benzamidine HCl;MLS002153493;SCHEMBL538862;4-Aminobenzamidinehydrochloride;4-amidino aniline hydrochloride;p-aminobenzam-idine hydrochloride;DTXSID10228278;4-amino-benzamidine mono HCl salt;NSC56418;4-Aminobenzenecarboximidamide (HCl);MFCD00077095;MFCD01310411;AKOS015920487;BS-3189;LS-27462;SMR001230836;A9817;CS-0312398;FT-0630139;Q-101110

Chemical Property of 4-Aminobenzamidine hydrochloride

Chemical Property:

• Boiling Point: 289.8 °C at 760 mmHg
• Flash Point: 129 °C
• PSA: 75.89000
• LogP: 2.73610
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 171.0563250
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

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

4-aminobenzamidinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)N.Cl

Technology Process of 4-Aminobenzamidine hydrochloride

There total 7 articles about 4-Aminobenzamidine 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: 95.3%

ethyl 4-aminobenzimidate dihydrochloride → 4-aminobenzamidine monohydrochloride (2498-50-2,7761-72-0,15724-26-2)

Guidance literature:

With ammonia; In ethanol; at 20 ℃; for 30h; Cooling with ice;

DOI:10.3390/molecules21111572

Reference yield: 86.0%

4-amino-benzimidic acid ethyl ester; hydrochloride → 4-aminobenzamidine monohydrochloride (2498-50-2,7761-72-0,15724-26-2)

Guidance literature:

With ammonia;

DOI:10.1039/b617810c

Reference yield:

→ 4-nitrobenzamidine hydrochloride (15723-90-7) + 4-aminobenzamidine monohydrochloride (2498-50-2,7761-72-0,15724-26-2)

Guidance literature:

upstream raw materials:

4-nitrobenzamidine hydrochloride

4-Aminobenzonitrile

4-nitrobenzonitrile

4-aminobenzamidine dihydrochloride

Refernces

• 1、 Jiang, Nan,Bu, Yanxin,Wang, Yu,Nie, Minhua,Zhang, Dajun,Zhai, Xin. "Design, synthesis and structure-activity relationships of novel diaryl urea derivatives as potential EGFR inhibitors". . . Retrieved 2016/12/03.
• 2、 Turlington, Mark,Mackay, Hilary,Rutledge, Caleb,Taherbhai, Zarmeen,Nguyen, Binh,Wilson, David,Lee, Moses. "Synthesis and biophysical testing of a novel pyrrole-containing polyamide-benzamidine hybrid". . p. 89 - 92. Retrieved 2007/10/03.