3,4-Diaminobenzimidamide

Base Information

• Chemical Name: 3,4-Diaminobenzimidamide
• CAS No.: 68827-43-0
• Molecular Formula: C7H10N4
• Molecular Weight: 150.183
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID30450357
• Nikkaji Number: J1.764.468H
• Wikidata: Q72462645
• Mol file: 68827-43-0.mol

Synonyms:3,4-Diaminobenzimidamide;68827-43-0;3,4-diaminobenzenecarboximidamide;3,4-Diaminobenzamidine;3,4-diaminobenzenecarboxamidine;BENZENECARBOXIMIDAMIDE, 3,4-DIAMINO-;SCHEMBL1303895;DTXSID30450357;YQQCEOMFCLGSTF-UHFFFAOYSA-N;MFCD08751343;3,4-diaminobenzene-1-carboximidamide;AKOS005266352;Benzenecarboximidamide, 3,4-diamino-;CS-W021792;DS-2168;FT-0703755;(4-CHLOROPHENYL)AMINO](OXO)ACETICACID;A836259;J-511122

Chemical Property of 3,4-Diaminobenzimidamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.696
• Boiling Point: 363.395 °C at 760 mmHg
• PKA: 13.70±0.50(Predicted)
• Flash Point: 173.575 °C
• PSA: 101.91000
• Density: 1.448 g/cm³
• LogP: 2.09750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 150.090546336
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99.5% ^*data from raw suppliers

3,4-Diaminobenzenecarboximidamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=N)N)N)N

Technology Process of 3,4-Diaminobenzimidamide

There total 8 articles about 3,4-Diaminobenzimidamide 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: 95.0%

4-amino-3-nitrobenzamidine (148344-28-9) → 4-amidino-1,2-phenylenediamine (68827-43-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/jm00064a008

Reference yield: 94.0%

amino-nitro-benzamidine → 4-amidino-1,2-phenylenediamine (68827-43-0)

Guidance literature:

palladium; In methanol;

Reference yield:

4-Amino-3-nitro-benzimidic acid methyl ester (777833-25-7) → 4-amidino-1,2-phenylenediamine (68827-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₃ / ethanol / 6 h / Heating

2: 95 percent / H₂ / 10 percent Pd-C / methanol

With ammonia; hydrogen; palladium on activated charcoal; In methanol; ethanol;

DOI:10.1021/jm00064a008

upstream raw materials:

4-amino-3-nitrobenzamidine

4-Amino-3-nitro-benzimidic acid methyl ester

4-Aminobenzonitrile

N-(4-cyanophenyl)acetamide

Downstream raw materials:

N-[4-(5-Carbamimidoyl-1H-benzoimidazol-2-yl)-2-nitro-phenyl]-acetamide

2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-(2-methoxy-ethoxymethoxy)-3'-nitro-biphenyl-3-yl]-succinic acid dimethyl ester

2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-fluoro-2'-methoxy-6-(2-methoxy-ethoxymethoxy)-biphenyl-3-yl]-succinic acid dimethyl ester