Cas no 1555-71-1 (1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride)
1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride Chemical and Physical Properties
Names and Identifiers
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- n1-(3-amino-propyl)-n1-benzyl-propane-1,3-diamine
- N'-(3-aminopropyl)-N'-benzylpropane-1,3-diamine
- N~1~-(3-Aminopropyl)-N~1~-benzylpropane-1,3-diamine
- BDBM86159
- bis(3-amino-propyl)-benzyl-amine
- 4-MB-3-3
- N-benzylbis (3-aminopropyl) amine
- 1,3-Propanediamine, N1-(3-aminopropyl)-N1-(phenylmethyl)-
- DTXSID50496575
- SCHEMBL713789
- N,N-bis(3-aminopropyl)benzylamine
- PDSP1_000335
- PDSP2_000333
- 1555-71-1
- HUWUUMUEMQWJKZ-UHFFFAOYSA-N
- [bis(3-aminopropyl)aminomethyl]benzene
- N-benzylbis(3-aminopropyl)amine
- 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride
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- Inchi: 1S/C13H23N3/c14-8-4-10-16(11-5-9-15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,14-15H2
- InChI Key: HUWUUMUEMQWJKZ-UHFFFAOYSA-N
- SMILES: N(CC1C=CC=CC=1)(CCCN)CCCN
Computed Properties
- Exact Mass: 221.18939
- Monoisotopic Mass: 221.189197746g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 55.3?2
Experimental Properties
- PSA: 55.28
1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B412190-1mg |
1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride |
1555-71-1 | 1mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B412190-2mg |
1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride |
1555-71-1 | 2mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B412190-10mg |
1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride |
1555-71-1 | 10mg |
$ 80.00 | 2022-06-07 |
1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride
Introduction to 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride (CAS No. 1555-71-1)
1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride, with the chemical formula C??H??Cl?N? and CAS number 1555-71-1, is a compound of significant interest in the field of pharmaceutical chemistry and drug development. This bisamine derivative has garnered attention due to its structural properties and potential applications in medicinal chemistry, particularly as a building block for the synthesis of more complex molecules. The compound's unique structure, featuring a benzyl group and two 3-aminopropyl chains, makes it a versatile intermediate in the creation of pharmacologically active agents.
The dihydrochloride salt form of this compound enhances its solubility in aqueous solutions, which is a critical factor in pharmaceutical formulations. This solubility advantage allows for easier administration and improved bioavailability, making it a valuable candidate for drug delivery systems. The compound's amine functionalities provide multiple sites for chemical modification, enabling researchers to tailor its properties for specific therapeutic targets.
In recent years, there has been growing interest in the development of novel compounds that can modulate biological pathways involved in neurological disorders. 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride has been explored as a potential scaffold for drugs targeting central nervous system (CNS) disorders. Its ability to interact with various biological receptors and enzymes has made it a subject of extensive research in academic and industrial laboratories. Preliminary studies suggest that derivatives of this compound may exhibit properties relevant to the treatment of conditions such as depression, anxiety, and neurodegenerative diseases.
The benzyl group in the molecule contributes to its hydrophobic character, which can influence how it interacts with biological targets. This feature is particularly important in drug design, where the balance between hydrophilic and hydrophobic regions can determine a drug's efficacy and selectivity. Researchers have leveraged this property to develop analogs that may have improved pharmacokinetic profiles compared to existing treatments.
One of the most compelling aspects of 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride is its role as a precursor in the synthesis of more complex pharmacophores. By modifying its structure through functional group transformations or by appending additional moieties, scientists can generate novel compounds with tailored biological activities. This flexibility has led to its use in high-throughput screening campaigns and as a key intermediate in multi-step synthetic routes.
The compound's stability under various conditions has also been a focus of study. Research indicates that 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride remains stable under standard storage conditions, making it a reliable reagent for synthetic applications. Additionally, its compatibility with common organic solvents enhances its utility in laboratory settings where diverse reaction conditions are often required.
In the context of drug discovery, the synthesis of 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride has been optimized for scalability and efficiency. Advances in synthetic methodologies have enabled the production of this compound in larger quantities, which is essential for both preclinical studies and commercial development. The availability of high-purity material ensures that researchers can conduct experiments with confidence, knowing that impurities do not interfere with their results.
The potential applications of this compound extend beyond CNS disorders. Its structural motifs have been explored in the development of compounds targeting other therapeutic areas, including oncology and inflammation. By incorporating 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride into drug design strategies, scientists aim to identify new treatments that address unmet medical needs.
Recent advancements in computational chemistry have further enhanced the understanding of how 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride interacts with biological targets. Molecular modeling studies have provided insights into its binding affinity and mode of action, guiding the design of more effective derivatives. These computational approaches complement experimental work by allowing researchers to predict properties such as metabolic stability and toxicity profiles before conducting costly wet-lab experiments.
The regulatory landscape for new drug candidates also plays a crucial role in the development pipeline for 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride derivatives. Compliance with guidelines set forth by agencies such as the FDA and EMA is essential for advancing compounds into clinical trials and eventually into market-ready therapies. Companies investing in research involving this compound must navigate these regulatory requirements carefully to ensure successful progression through development stages.
In conclusion, 1-Benzyl-bis(3-aminopropyl)amine Dihydrochloride (CAS No. 1555-71-1) represents a promising candidate for further exploration in pharmaceutical chemistry. Its unique structural features, combined with its versatility as a synthetic intermediate, make it an attractive scaffold for developing novel therapeutics. As research continues to uncover new applications and optimize synthetic routes, this compound is poised to play an important role in addressing some of today's most pressing medical challenges.
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