2-(4-butoxyphenyl)acetamide
2-(4-butoxyphenyl)acetamide structure
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Common Name | 2-(4-butoxyphenyl)acetamide | ||
|---|---|---|---|---|
| CAS Number | 3413-59-0 | Molecular Weight | 207.26900 | |
| Density | 1.054g/cm3 | Boiling Point | 384.4ºC at 760mmHg | |
| Molecular Formula | C12H17NO2 | Melting Point | 185-187ºC | |
| MSDS | N/A | Flash Point | 186.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(4-butoxyphenyl)acetamide |
|---|---|
| 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.
| Density | 1.054g/cm3 |
|---|---|
| Boiling Point | 384.4ºC at 760mmHg |
| Melting Point | 185-187ºC |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.26900 |
| Flash Point | 186.6ºC |
| Exact Mass | 207.12600 |
| PSA | 52.32000 |
| LogP | 2.59360 |
| Index of Refraction | 1.521 |
| InChIKey | RSMPEQBSFXBQMJ-UHFFFAOYSA-N |
| SMILES | CCCCOc1ccc(CC(N)=O)cc1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | 22-24/25 |
|---|---|
| HS Code | 2924299090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~72%
2-(4-butoxyphen... CAS#:3413-59-0 |
| Literature: Freudenreich, Charles; Samama, Jean-Pierre; Biellmann, Jean-Francois Journal of the American Chemical Society, 1984 , vol. 106, # 11 p. 3344 - 3353 |
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~%
2-(4-butoxyphen... CAS#:3413-59-0 |
| Literature: Journal of the American Chemical Society, , vol. 106, # 11 p. 3344 - 3353 |
|
~60%
2-(4-butoxyphen... CAS#:3413-59-0 |
| Literature: Freudenreich, Charles; Samama, Jean-Pierre; Biellmann, Jean-Francois Journal of the American Chemical Society, 1984 , vol. 106, # 11 p. 3344 - 3353 |
|
~%
2-(4-butoxyphen... CAS#:3413-59-0 |
| Literature: Journal of the American Chemical Society, , vol. 106, # 11 p. 3344 - 3353 |
|
~%
2-(4-butoxyphen... CAS#:3413-59-0 |
| Literature: Journal of the American Chemical Society, , vol. 106, # 11 p. 3344 - 3353 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924299090 |
|---|---|
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; 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: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR101
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Name: qHTS for Inhibitors of Polymerase Iota
Source: NCGC
Target: DNA polymerase iota [Homo sapiens]
External Id: PolI100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: qHTS for Inhibitors of Polymerase Kappa
Source: NCGC
Target: DNA polymerase kappa [Homo sapiens]
External Id: PolK100
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Name: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR100
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Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary ...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2Venus
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Name: qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the ...
Source: NCGC
Target: IDH1 [Homo sapiens]
External Id: IDH1-lethal-NT
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(p-Butoxyphenyl)acetamide |
| 4-Butoxybenzeneacetamide |
| Acetamide,2-(p-butoxyphenyl) |
| 4-Butoxyphenylacetamide |
| p-butoxyphenylacetamide |
| 4-Butoxy-phenyl-acetamid |
| EINECS 222-303-9 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 2-(4-butoxyphenyl)acetamide? |
| A: CAS number of 2-(4-butoxyphenyl)acetamide is 3413-59-0. |
| Q: What is the boiling point of 2-(4-butoxyphenyl)acetamide? |
| A: Boiling point of 2-(4-butoxyphenyl)acetamide is 384.4ºC at 760mmHg. |
| Q: What is the SMILES notation of 2-(4-butoxyphenyl)acetamide? |
| A: SMILES notation of 2-(4-butoxyphenyl)acetamide is CCCCOc1ccc(CC(N)=O)cc1. |
| Q: What is the polar surface area (PSA) of 2-(4-butoxyphenyl)acetamide? |
| A: Polar surface area (PSA) of 2-(4-butoxyphenyl)acetamide is 52.32000. |
| Q: What is the molecular weight of 2-(4-butoxyphenyl)acetamide? |
| A: Molecular weight of 2-(4-butoxyphenyl)acetamide is 207.26900. |
| Q: What is the English name of 2-(4-butoxyphenyl)acetamide? |
| A: The English name of 2-(4-butoxyphenyl)acetamide is 2-(4-butoxyphenyl)acetamide. |
| Q: What English synonyms does 2-(4-butoxyphenyl)acetamide have? |
| A: English synonyms of 2-(4-butoxyphenyl)acetamide: 2-(p-Butoxyphenyl)acetamide, 4-Butoxybenzeneacetamide, Acetamide,2-(p-butoxyphenyl), 4-Butoxyphenylacetamide, p-butoxyphenylacetamide, 4-Butoxy-phenyl-acetamid, EINECS 222-303-9. |
| Q: What are the upstream materials of 2-(4-butoxyphenyl)acetamide? |
| A: Related upstream materials(CAS) of 2-(4-butoxyphenyl)acetamide: 4547-57-3;38746-93-9;29056-06-2;156-38-7;14191-95-8. |
| Q: What is the LogP of 2-(4-butoxyphenyl)acetamide? |
| A: LogP of 2-(4-butoxyphenyl)acetamide is 2.59360. |
| Q: What is the InChIKey of 2-(4-butoxyphenyl)acetamide? |
| A: InChIKey of 2-(4-butoxyphenyl)acetamide is RSMPEQBSFXBQMJ-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. |