Cas no 1472-54-4 (Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1))
Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1)
- BENZYL-[2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-AMINE
- Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine hydrochloride
- AKOS B023246
- TIMTEC-BB SBB007251
- ART-CHEM-BB B023246
- benzylhomoveratrylaminehydrochloride
- n-benzyl-3,4-dimethoxy-phenethylaminhydrochloride
- 3,4-dimethoxy-n-(phenylmethyl)-benzeneethanaminhydrochloride
- DTXSID50933056
- 1472-54-4
- AKOS015847059
- Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-aminehydrochloride
- N-Benzyl-2-(3,4-dimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)
- Benzyl homoveratrylamine hydrochloride
- Phenethylamine, N-benzyl-3,4-dimethoxy-, hydrochloride
- Benzeneethanamine, 3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride
- N-benzyl-2-(3,4-dimethoxyphenyl)ethanamine
- FT-0676730
- N-benzyl-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
- SCHEMBL11451398
- N-Benzyl-3,4-dimethoxyphenethylamine hydrochloride
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- MDL: MFCD01475837
- Inchi: 1S/C17H21NO2.ClH/c1-19-16-9-8-14(12-17(16)20-2)10-11-18-13-15-6-4-3-5-7-15;/h3-9,12,18H,10-11,13H2,1-2H3;1H
- InChI Key: RLGJZQQFEBNHQW-UHFFFAOYSA-N
- SMILES: Cl.O(C)C1=C(C=CC(=C1)CCNCC1C=CC=CC=1)OC
Computed Properties
- Exact Mass: 271.15700
- Monoisotopic Mass: 307.1339066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 253
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 30.49000
- LogP: 3.42700
Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) Security Information
- HazardClass:IRRITANT
Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) Customs Data
- HS CODE:2922299090
- Customs Data:
China Customs Code:
2922299090Overview:
2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 029476-250mg |
Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine |
1472-54-4 | 250mg |
£152.00 | 2022-03-01 | ||
| Fluorochem | 029476-1g |
Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine |
1472-54-4 | 1g |
£320.00 | 2022-03-01 | ||
| Fluorochem | 029476-2g |
Benzyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine |
1472-54-4 | 2g |
£598.00 | 2022-03-01 | ||
| Crysdot LLC | CD12140579-1g |
N-Benzyl-2-(3,4-dimethoxyphenyl)ethanamine |
1472-54-4 | 97% | 1g |
$336 | 2024-07-23 |
Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
Additional information on Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1)
Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) and its Significance in Modern Chemical Research
Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1), with the CAS number 1472-54-4, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal research. This compound, often referred to by its systematic name, represents a unique structural motif that has garnered attention due to its potential biological activities and its utility in the synthesis of more complex molecules. The presence of both methoxy and phenylmethyl (benzyl) substituents on an amine backbone suggests a rich chemical space for interaction with biological targets, making it a valuable scaffold for drug discovery efforts.
The hydrochloride salt form of this compound enhances its solubility in aqueous systems, which is a critical factor in pharmaceutical applications. This solubility profile facilitates its use in various biochemical assays and in the formulation of drug delivery systems. The compound's structure also suggests potential interactions with enzymes and receptors, which are key considerations in the design of novel therapeutic agents.
Recent research has highlighted the importance of amine derivatives in the development of pharmacological agents. Specifically, compounds containing dimethoxy substitution patterns have shown promise in modulating neurotransmitter systems. For instance, studies have indicated that similar structural motifs may influence the activity of monoamine oxidase enzymes, which are crucial in the metabolism of neurotransmitters such as dopamine and serotonin. The Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) compound could potentially serve as a lead molecule or intermediate in the synthesis of agents designed to interact with these enzymes.
In addition to its potential role in central nervous system disorders, this compound may also find applications in the treatment of other diseases. Its structural features suggest that it could interact with various biological targets, including kinases and other enzymes involved in cell signaling pathways. The phenylmethyl group, in particular, is a common feature in many bioactive molecules and has been shown to enhance binding affinity to biological targets due to its ability to form multiple non-covalent interactions.
The synthesis of this compound involves multi-step organic reactions that showcase the expertise required in pharmaceutical chemistry. The introduction of methoxy groups at the 3 and 4 positions of the benzene ring requires precise control over reaction conditions to ensure high yield and purity. Similarly, the attachment of the phenylmethyl group via an amide bond necessitates careful optimization to minimize side reactions. These synthetic challenges highlight the importance of advanced chemical techniques and methodologies in the preparation of complex molecules like Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1).
Advances in computational chemistry have also played a significant role in understanding the potential biological activity of this compound. Molecular modeling studies can predict how Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) interacts with biological targets at the atomic level. These predictions can guide experimental efforts by identifying key binding sites and optimizing molecular properties for improved efficacy. Additionally, computational methods can help assess potential toxicity profiles early in the drug discovery process, thereby reducing the risk of failures later in development.
The hydrochloride salt form of this compound not only improves solubility but also enhances stability during storage and transport. This stability is crucial for ensuring that pharmaceutical products remain effective throughout their shelf life. Furthermore, the salt form can influence how the compound is absorbed and distributed within an organism upon administration. These factors are critical considerations when developing new drugs and require thorough investigation through preclinical studies.
In conclusion, Benzeneethanamine,3,4-dimethoxy-N-(phenylmethyl)-, hydrochloride (1:1) represents a promising compound with significant potential in pharmaceutical research. Its unique structural features make it a valuable scaffold for developing new therapeutic agents targeting various diseases. The advancements in synthetic chemistry and computational methods continue to enhance our ability to explore and optimize such compounds for clinical applications. As research progresses, it is likely that more insights into the biological activity and therapeutic potential of this compound will emerge.
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