Cas no 39650-64-1 (4-(1H-benzimidazol-2-yl)butan-1-amine)
4-(1H-benzimidazol-2-yl)butan-1-amine Chemical and Physical Properties
Names and Identifiers
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- 1H-Benzimidazole-2-butanamine(9CI)
- 2-(d-Aminobutyl)benzimidazole
- 1H-Benzimidazole-2-butanamine
- 4-(1H-benzimidazol-2-yl)butan-1-amine
- 4-(1H-1,3-benzodiazol-2-yl)butan-1-amine
- 4-(1H-Benzo[d]imidazol-2-yl)butan-1-amine
- AKOS005613068
- SCHEMBL1884524
- BB 0220517
- EN300-1856181
- DTXSID20389804
- 39650-64-1
-
- MDL: MFCD06010006
- Inchi: 1S/C11H15N3/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8,12H2,(H,13,14)
- InChI Key: GFIQENBZTGDRFF-UHFFFAOYSA-N
- SMILES: N1C2C=CC=CC=2N=C1CCCCN
Computed Properties
- Exact Mass: 189.12675
- Monoisotopic Mass: 189.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 172
- 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: 1.4
- Topological Polar Surface Area: 54.7?2
Experimental Properties
- PSA: 54.7
4-(1H-benzimidazol-2-yl)butan-1-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B396505-10mg |
4-(1H-benzimidazol-2-yl)butan-1-amine |
39650-64-1 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B396505-50mg |
4-(1H-benzimidazol-2-yl)butan-1-amine |
39650-64-1 | 50mg |
$ 115.00 | 2022-06-07 | ||
| TRC | B396505-100mg |
4-(1H-benzimidazol-2-yl)butan-1-amine |
39650-64-1 | 100mg |
$ 185.00 | 2022-06-07 | ||
| Alichem | A069004270-5g |
4-(1H-Benzo[d]imidazol-2-yl)butan-1-amine |
39650-64-1 | 97% | 5g |
$1169.58 | 2023-09-02 | |
| Alichem | A069004270-10g |
4-(1H-Benzo[d]imidazol-2-yl)butan-1-amine |
39650-64-1 | 97% | 10g |
$1835.56 | 2023-09-02 | |
| Alichem | A069004270-25g |
4-(1H-Benzo[d]imidazol-2-yl)butan-1-amine |
39650-64-1 | 97% | 25g |
$3315.90 | 2023-09-02 | |
| Chemenu | CM519548-1g |
4-(1H-Benzo[d]imidazol-2-yl)butan-1-amine |
39650-64-1 | 97% | 1g |
$520 | 2023-02-02 | |
| eNovation Chemicals LLC | D593859-1g |
1H-Benzimidazole-2-butanamine |
39650-64-1 | 95% | 1g |
$580 | 2024-08-03 | |
| eNovation Chemicals LLC | D593859-5g |
1H-Benzimidazole-2-butanamine |
39650-64-1 | 95% | 5g |
$1160 | 2024-08-03 | |
| Enamine | EN300-1856181-0.05g |
4-(1H-1,3-benzodiazol-2-yl)butan-1-amine |
39650-64-1 | 0.05g |
$707.0 | 2023-09-18 |
4-(1H-benzimidazol-2-yl)butan-1-amine Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
Additional information on 4-(1H-benzimidazol-2-yl)butan-1-amine
1H-Benzimidazole-2-butanamine (9CI)
1H-Benzimidazole-2-butanamine (9CI), also known by its CAS number 39650-64-1, is a compound of significant interest in the fields of organic chemistry and materials science. This compound belongs to the class of benzimidazoles, which are heterocyclic aromatic compounds with a wide range of applications in drug discovery, catalysis, and electronic materials. The structure of 1H-Benzimidazole-2-butanamine consists of a benzene ring fused with an imidazole ring, where the imidazole moiety is substituted with a butanamine group at the 2-position. This substitution pattern imparts unique electronic and steric properties to the molecule, making it a versatile building block for various chemical transformations.
Recent studies have highlighted the potential of benzimidazoles as scaffolds for designing bioactive molecules. For instance, researchers have explored the use of 1H-Benzimidazole-2-butanamine in the development of novel anticancer agents. The compound's ability to interact with DNA and proteins through hydrogen bonding and π-π interactions has been exploited to design drugs that target specific oncogenic pathways. Additionally, its role as a ligand in metalloenzyme inhibition has been investigated, showcasing its potential in enzyme modulation and therapeutic intervention.
The synthesis of 1H-Benzimidazole-2-butanamine (9CI) typically involves multi-step reactions, often starting from readily available starting materials such as o-phenylenediamine and aldehydes or ketones. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses. For example, the use of transition metal catalysts like palladium or copper has facilitated coupling reactions that yield high-purity benzimidazole derivatives. These methods not only improve the yield but also reduce reaction times, making them suitable for large-scale production.
In terms of chemical properties, 1H-Benzimidazole-2-butanamine exhibits good thermal stability and moderate solubility in polar solvents. Its electronic properties make it an attractive candidate for applications in organic electronics. For instance, studies have demonstrated that films prepared from this compound exhibit promising charge transport characteristics, suggesting its potential use in organic field-effect transistors (OFETs) and light-emitting diodes (OLEDs). Furthermore, its ability to form self-assembled monolayers (SAMs) on various substrates has opened new avenues for surface functionalization in nanotechnology.
One of the most exciting developments involving 1H-Benzimidazole-2-butanamine is its role in supramolecular chemistry. Researchers have utilized its ability to form hydrogen bonds and π-stacking interactions to construct complex molecular architectures. For example, self-assembled nanostructures based on this compound have been reported, which exhibit unique optical and mechanical properties. These findings underscore its potential as a building block for creating advanced materials with tailored functionalities.
From an environmental standpoint, the biodegradability and toxicity profiles of benzimidazoles are critical considerations for their industrial applications. Recent toxicity studies indicate that 1H-Benzimidazole-2-butanamine exhibits low acute toxicity in standard assays, suggesting that it may be suitable for applications where human exposure is a concern. However, further research is needed to fully understand its long-term effects on ecosystems.
In conclusion, 1H-Benzimidazole-2-butanamine (9CI) is a multifaceted compound with diverse applications across various scientific disciplines. Its structural versatility, combined with recent advances in synthesis and application development, positions it as a key player in modern chemical research. As ongoing studies continue to uncover new properties and uses for this compound, it is likely to play an increasingly important role in both academic and industrial settings.
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