Cas no 84803-67-8 (5-Acetyl-3-aminoiminodibenzyl)
5-Acetyl-3-aminoiminodibenzyl Chemical and Physical Properties
Names and Identifiers
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- 5-acetyl-10,11-dihydro-5H-dibenz[b,f]azepin-3-amine
- 3-AMINO-5-ACETYLIMINODIBENZYL
- 5-Acetyl-3-aminoiminodibenzyl
- 1-(3-AMINO-10,11-DIHYDRO-DIBENZO[B,F]AZEPIN-5-YL)-ETHANONE
- 3-Amine-5-acetyliminodibenzyl
- 3-amino-5-acetyl-10,11-dihydro-5H-dibenz<b,f>azepine
- 5-ACETYL-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-3-AMINE
- 5-Acetyl-3-amino-10,11-dihydro-5H-dibenz[b,f]azepine
- 5-ACETYL-3-AMINO-10,11-DIHYDRODIBENZO[B,F]AZEPINE
- Einecs 284-194-4
- SCHEMBL19224983
- 1-(3-AMINO-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-1-ETHANONE
- HMS643P12
- Oprea1_633844
- 1-(3-Amino-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethanone
- SR-01000409122-1
- A840929
- 5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine
- CBMicro_033926
- FT-0641981
- ChemDiv1_020054
- 5H-Dibenz[b,f]azepin-3-amine, 5-acetyl-10,11-dihydro-
- Ethanone, 1-(3-amino-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-
- CQR24Q6RTF
- EU-0069195
- 3-amino-5-acetyl-10,11-dihydro-5h-dibenz[b,f]azepine
- NS00038663
- 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
- CHEMBL1620452
- 84803-67-8
- DTXSID70233848
- Oprea1_479287
- AKOS000549057
- SR-01000409122
-
- MDL: MFCD01247121
- Inchi: 1S/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3
- InChI Key: SEUMPHLDWPKWRO-UHFFFAOYSA-N
- SMILES: O=C(C)N1C2C=CC=CC=2CCC2C=CC(=CC1=2)N
Computed Properties
- Exact Mass: 252.12600
- Monoisotopic Mass: 216.043224
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 344
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 85.8
Experimental Properties
- Density: 1.21
- Melting Point: ≥145oC
- Boiling Point: 523.9 °C at 760 mmHg
- Flash Point: 270.7 °C
- Refractive Index: 1.643
- PSA: 46.33000
- LogP: 3.69820
5-Acetyl-3-aminoiminodibenzyl Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-Acetyl-3-aminoiminodibenzyl Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A170955-250mg |
5-Acetyl-3-aminoiminodibenzyl |
84803-67-8 | 250mg |
$ 75.00 | 2022-06-08 | ||
| TRC | A170955-500mg |
5-Acetyl-3-aminoiminodibenzyl |
84803-67-8 | 500mg |
$ 135.00 | 2022-06-08 | ||
| TRC | A170955-1g |
5-Acetyl-3-aminoiminodibenzyl |
84803-67-8 | 1g |
$ 260.00 | 2022-06-08 | ||
| TRC | A170955-2.5g |
5-Acetyl-3-aminoiminodibenzyl |
84803-67-8 | 2.5g |
$ 585.00 | 2022-06-08 | ||
| City Chemical | 2471CC-5GM |
5-Acetyl-10,11-dihydro-5H-dibenz[b,f]azepin-3-amine |
84803-67-8 | mp;142.0~153.0 | 5gm |
$520.26 | 2023-09-19 | |
| TRC | A170955-5g |
5-Acetyl-3-aminoiminodibenzyl |
84803-67-8 | 5g |
$ 1800.00 | 2023-09-09 | ||
| A2B Chem LLC | AC21338-1g |
l-phenylalanyl-3,5-diiodo-l-tyrosine |
84803-67-8 | 1g |
$1109.00 | 2024-04-19 | ||
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY348007-1g |
1-(3-Amino-6,7-dihydro-5H-dibenzo[b,d]azepin-5-yl)ethanone |
84803-67-8 | ≥95% | 1g |
¥14850.00 | 2025-04-12 |
5-Acetyl-3-aminoiminodibenzyl Suppliers
5-Acetyl-3-aminoiminodibenzyl Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
Additional information on 5-Acetyl-3-aminoiminodibenzyl
Introduction to 5-Acetyl-3-aminoiminodibenzyl (CAS No. 84803-67-8)
5-Acetyl-3-aminoiminodibenzyl, identified by its Chemical Abstracts Service (CAS) number 84803-67-8, is a specialized organic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, featuring a dibenzyl core with functional groups including an acetyl and an aminoimine moiety, exhibits unique structural and chemical properties that make it a valuable scaffold for the development of novel bioactive molecules.
The molecular structure of 5-Acetyl-3-aminoiminodibenzyl consists of two benzyl rings linked by an amine group, with an acetyl substituent at the 5-position and an aminoimine group at the 3-position. This arrangement confers distinct reactivity and binding capabilities, making it a promising candidate for further exploration in drug discovery and molecular recognition studies. The presence of both polar and non-polar regions in its structure allows for interactions with various biological targets, including proteins and nucleic acids.
In recent years, there has been growing interest in the development of bisbenzyl derivatives as pharmacological agents due to their potential to modulate biological pathways involved in diseases such as cancer, inflammation, and neurodegeneration. The acetyl group in 5-Acetyl-3-aminoiminodibenzyl can serve as a point of modification for further derivatization, enabling the creation of libraries of compounds with tailored biological activities. Additionally, the aminoimine functionality provides a site for hydrogen bonding and coordination interactions, which are crucial for binding to biological macromolecules.
One of the most compelling aspects of 5-Acetyl-3-aminoiminodibenzyl is its utility as a building block in medicinal chemistry. Researchers have leveraged its scaffold to design molecules that exhibit inhibitory effects on enzymes and receptors implicated in various therapeutic areas. For instance, studies have shown that derivatives of this compound can interact with kinases and transcription factors, potentially leading to the development of treatments for metabolic disorders and oncological conditions. The versatility of 5-Acetyl-3-aminoiminodibenzyl lies in its ability to be functionalized in multiple ways, allowing chemists to explore diverse chemical space.
The synthesis of 5-Acetyl-3-aminoiminodibenzyl involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Common synthetic routes include condensation reactions between appropriate precursors followed by functional group transformations such as acetylation and imination. Advances in synthetic methodologies have enabled more efficient production processes, making it feasible to obtain sufficient quantities for both laboratory-scale investigations and preclinical studies.
Recent research has highlighted the potential applications of 5-Acetyl-3-aminoiminodibenzyl in computational chemistry and molecular modeling. Its well-defined structure allows for accurate docking studies, which are essential for predicting how it might interact with biological targets. By integrating experimental data with computational predictions, scientists can accelerate the discovery process and prioritize compounds for further validation. This interdisciplinary approach has been instrumental in identifying lead candidates for drug development programs.
The pharmacokinetic properties of 5-Acetyl-3-aminoiminodibenzyl are also under investigation to assess its suitability for therapeutic use. Factors such as solubility, stability, and metabolic clearance play critical roles in determining whether a compound can reach its target site effectively within an organism. Preliminary studies suggest that modifications to the dibenzyl core can influence these properties significantly, offering opportunities to optimize bioavailability and reduce off-target effects.
In conclusion, 5-Acetyl-3-aminoiminodibenzyl (CAS No. 84803-67-8) represents a fascinating compound with broad applications in chemical biology and pharmaceutical research. Its unique structural features provide a rich foundation for designing molecules with therapeutic potential, while ongoing studies continue to uncover new ways to harness its capabilities. As research progresses, it is likely that this compound will play an increasingly important role in the development of next-generation drugs targeting complex diseases.
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