4-Aminobenzamidine hydrochloride

Base Information

• Chemical Name: 4-Aminobenzamidine hydrochloride
• CAS No.: 2498-50-2
• Molecular Formula: C7H11Cl2N3
• Molecular Weight: 208.09
• Hs Code.: 29252900
• European Community (EC) Number: 675-042-1
• NSC Number: 56418
• DSSTox Substance ID: DTXSID10228278
• ChEMBL ID: CHEMBL545184
• Mol file: 2498-50-2.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:

• Appearance/Colour: white to yellowish fine crystalline powder
• Vapor Pressure: 0.00216mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 289.8 °C at 760 mmHg
• Flash Point: 129 °C
• PSA: 75.89000
• Density: 1.26g/cm3
• LogP: 3.53810
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Water
• 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:

99% ^*data from raw suppliers

4-Aminobenzamidine Dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)N.Cl
• Uses: 4-Aminobenzamidine dihydrochloride is a synthetic diamidine derivative that acts as a urokinase inhibitor as well as trypsin inhibitor. It is used as a ligand in affinity chromatography for purification and immobilization of enzymes.

Technology Process of 4-Aminobenzamidine hydrochloride

There total 14 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: 97.8%

N-(4-cyanophenyl)acetamide (35704-19-9) → 4-aminobenzamidine dihydrochloride (2498-50-2)

Guidance literature:

N-(4-cyanophenyl)acetamide; With sodium amide; In dimethyl sulfoxide; at 20 - 80 ℃; for 1.5h; Large scale;

With hydrogenchloride; In ethanol; dimethyl sulfoxide; at 0 ℃; for 1.5h; pH=3 - 4; Solvent; Reagent/catalyst; Temperature; Large scale;

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: 94.7%

4-nitrobenzamidine (25412-75-3) → 4-aminobenzamidine dihydrochloride (2498-50-2)

Guidance literature:

4-nitrobenzamidine; With iron; acetic acid; In ethanol; water; at 60 - 80 ℃; for 4h;

With hydrogenchloride; In ethanol; water; Reagent/catalyst;

upstream raw materials:

4-Aminobenzonitrile

4-nitrobenzonitrile

4-nitrobenzimidic acid methyl ester

4-nitrobenzamidine

Downstream raw materials:

2-<2-(4-aminophenyl)-4-imidazolyl>ethanamine

4-<<4-(aminoiminomethyl)phenyl>amino>-4-oxobutanoic acid

4-[N-(benzyloxycarbonyl)-aminoiminomethyl]aniline

tert-butyl [(4-aminophenyl)(imino)methyl]carbamate