2-(3-Fluoro-4-methoxyphenyl)ethanamine
2-(3-Fluoro-4-methoxyphenyl)ethanamine structure
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Common Name | 2-(3-Fluoro-4-methoxyphenyl)ethanamine | ||
|---|---|---|---|---|
| CAS Number | 458-40-2 | Molecular Weight | 169.19600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H12FNO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 2-(3-Fluoro-4-methoxyphenyl)ethanamine, Chinese name: 2-(3-氟-4-甲氧基苯基)乙胺, CAS number: 458-40-2, molecular formula: C9H12FNO, molecular weight: 169.19600. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-Fluoro-4-methoxyphenyl)ethanamine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C9H12FNO |
|---|---|
| Molecular Weight | 169.19600 |
| Exact Mass | 169.09000 |
| PSA | 35.25000 |
| LogP | 2.03580 |
| InChIKey | QIVBJMNUDCAJED-UHFFFAOYSA-N |
| SMILES | COc1ccc(CCN)cc1F |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2922299090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-(3-Fluoro-4-m... CAS#:458-40-2 |
| Literature: SANOFI-AVENTIS U.S. LLC Patent: WO2008/39882 A1, 2008 ; Location in patent: Page/Page column 80-81 ; WO 2008/039882 A1 |
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~45%
2-(3-Fluoro-4-m... CAS#:458-40-2 |
| Literature: Cervena, Irena; Holubek, Jiri; Svatek, Emil; Valchar, Martin; Protiva, Miroslav Collection of Czechoslovak Chemical Communications, 1987 , vol. 52, # 10 p. 2564 - 2571 |
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~%
2-(3-Fluoro-4-m... CAS#:458-40-2 |
| Literature: Cardellini; Cingolani; Claudi; Perlini; Balduini; Cattabeni Farmaco, Edizione Scientifica, 1988 , vol. 43, # 1 p. 49 - 59 |
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~%
2-(3-Fluoro-4-m... CAS#:458-40-2 |
| Literature: Kraft Chemische Berichte, 1951 , vol. 84, p. 150,154 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
CAS#:404-84-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922299090 |
|---|---|
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Phenotypic growth assay for Mycobacterium tuberculosis grown for 4 days on DPPC, chol...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649948
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Name: Phenotypic growth assay for Mycobacterium tuberculosis grown for 3 days on 7H9, gluco...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649949
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Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
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Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
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Name: Antibacterial activity against Pseudomonas aeruginosa PAO397 [PAO1 d(mexAB-oprM) d(me...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296802
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Fluor-4-methoxy-phenaethylamin |
| 3-fluoro-4-methoxy-phenethylamine |
| 2-(3-fluoro-4-methoxyphenyl)ethan-1-amine |
| 2-(3-fluoro-4-methoxyphenyl)ethylamine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: The English name of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is 2-(3-Fluoro-4-methoxyphenyl)ethanamine. |
| Q: What is the CAS number of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: CAS number of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is 458-40-2. |
| Q: What is the molecular formula of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: Molecular formula of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is C9H12FNO. |
| Q: What is the SMILES notation of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: SMILES notation of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is COc1ccc(CCN)cc1F. |
| Q: What is the molecular weight of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: Molecular weight of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is 169.19600. |
| Q: What is the polar surface area (PSA) of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: Polar surface area (PSA) of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is 35.25000. |
| Q: What is the Chinese name of 458-40-2? |
| A: Chinese name of 458-40-2 is 458-40-2. |
| Q: What is the LogP of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: LogP of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is 2.03580. |
| Q: What are the upstream materials of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: Related upstream materials(CAS) of 2-(3-Fluoro-4-methoxyphenyl)ethanamine: 118958-80-8;404-90-0;351-54-2;351-52-0. |
| Q: What is the InChIKey of 2-(3-Fluoro-4-methoxyphenyl)ethanamine? |
| A: InChIKey of 2-(3-Fluoro-4-methoxyphenyl)ethanamine is QIVBJMNUDCAJED-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |