1,2,4,5-Benzenetetramine Tetrahydrochloride

• CAS: 4506-66-5
• Catalog Number: ACM4506665-4
• Category: Main Products
• Molecular Weight: 284.01
• Molecular Formula: C6H2(NH2)4·4HCl
• Synonyms: 1,2,4,5-Tetraaminobenzene tetrahydrochloride
• IUPAC Name: benzene-1,2,4,5-tetramine;tetrahydrochloride
• Canonical SMILES: Cl.Cl.Cl.Cl.Nc1cc(N)c(N)cc1N
• InChI: 1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
• InChI Key: BZDGCIJWPWHAOF-UHFFFAOYSA-N
• Melting Point: ≥300 °C (lit.)
• Appearance: dark gray solid
• Application: This product is suitable for scientific research.
• Assay: ≥95%; ≥95.0% (AT)
• Complexity: 90.3
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 5
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 224-822-6
• Exact Mass: 283.994307g/mol
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 8
• Isotope Atom Count: 0
• MDL Number: MFCD00012970
• Monoisotopic Mass: 281.997257g/mol
• NACRES: NA.23
• PubChem ID: 24858402
• Quality Level: 100
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 104Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Case Study

Enhancing Lithium Metal Battery Performance with 1,2,4,5-Benzenetetramine Tetrahydrochloride Additive

Lin, Zhihua, et al. Advanced Electronic Materials 10.4 (2024): 2300772.

Achieving highly stable lithium metal batteries (LMBs) requires a high-quality, inorganic-rich Solid Electrolyte Interphase (SEI). This case study examined the application of 1,2,4,5-Benzenetetramine Tetrahydrochloride (BHCL) as a novel, dual-function electrolyte additive designed to construct a LiCl-rich inorganic SEI layer, thereby improving lithium metal anode stability and overall battery performance.
Mechanism:
BHCL's structure enables synergistic effects: on one hand, BHCL's four high-donor-number amines have strong complexation affinity with Li+, which can bring BHCL near the Li metal surface; on the other hand, BHCL's phenyl group is electron-withdrawing, which will reduce its LUMO energy and thus increase the solvent stability; furthermore, free chloride ions in BHCL are incorporated into the solvation sheath, leading to the formation of a rigid, flat, and dense LiCl-rich SEI layer upon its decomposition.
Key Results:
Experimental results indicated the proposed theory and the positive effect of BHCL on LMB performance. Li||Li symmetric cells cycled for more than 2500 hours with ≈45 mV overpotential at 1 mA cm-2; Li||Cu cells delivered a high coulombic efficiency (CE) of 98.1% after 100 cycles at 0.5 mA cm-2; and the Li||LFP full cell also showed a significantly enhanced cycling stability and a reduced polarization.

Preclinical Assessment of Y15 (1,2,4,5-Benzenetetramine Tetrahydrochloride) as a FAK Inhibitor

Golubovskaya, Vita, et al. Archives of toxicology 89 (2015): 1095-1101.

The case study is a preclinical characterization of Y15 (1,2,4,5-benzenetetramine tetrahydrochloride), a selective and potent FAK inhibitor with antitumor activity for its in vivo pharmacokinetics, metabolic stability, and toxicity. The primary preclinical studies were carried out in mice.
Key Findings:
· Pharmacokinetics: Rapid absorption of Y15 was observed after IP administration (30 mg/kg). maximum plasma concentration (C_max) is reached within 4.8 minutes.
· Metabolism: Mouse and human liver microsomes were used for metabolic stability studies. Y15 demonstrated rapid metabolic turnover. The observed half-life (t_1/2) was 6.9 minutes in mouse liver microsomes and 11.6 minutes in human liver microsomes.
· Toxicity & Tolerability: Single-dose MTD (po) = 200 mg/kg. Multiple-dose MTD (po) = 100 mg/kg/day for 7 days. No mortality or statistically significant reduction in body weight was seen at 30 mg/kg (ip) for 28 days and 100 mg/kg (po) for 7 days. No drug-related clinically significant changes were seen in clinical chemistry, hematology, or histopathology of major organs at these doses and durations.
· This work established that 1,2,4,5-benzenetetramine tetrahydrochloride possesses a favorable initial safety and pharmacokinetic profile. Its rapid absorption and metabolism, combined with a well-tolerated dose range without significant toxicological findings.

Custom Q&A

What is the product name of the compound with cas number 4506-66-5?

The product name is 1,2,4,5-Benzenetetramine Tetrahydrochloride.

What is the IUPAC name of the compound?

The IUPAC name is benzene-1,2,4,5-tetramine tetrahydrochloride.

What is the molecular weight of this compound?

The molecular weight is 284.01.

What is the appearance of 1,2,4,5-Benzenetetramine Tetrahydrochloride?

The appearance is a dark gray solid.

What is the purity of this compound?

The purity is ≥95%.

What category does this compound fall under?

It falls under CHN Containing Functional Groups category.

What are the synonyms for 1,2,4,5-Benzenetetramine Tetrahydrochloride?

The synonyms are 1,2,4,5-Tetraaminobenzene tetrahydrochloride.

What is the melting point of this compound?

The melting point is ≥300°C.

What is the molecular formula of this compound?

The molecular formula is C6H2(NH2)4·4HCl.

What is the EC number of this compound?

The EC Number is 224-822-6.