(2RS)-2-[4-(2-Methylpropyl)Phenyl]Propanamide structure
|
Common Name | (2RS)-2-[4-(2-Methylpropyl)Phenyl]Propanamide | ||
|---|---|---|---|---|
| CAS Number | 59512-17-3 | Molecular Weight | 205.296 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 356.1±21.0 °C at 760 mmHg | |
| Molecular Formula | C13H19NO | Melting Point | 110-114ºC | |
| MSDS | Chinese USA | Flash Point | 169.1±22.1 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | rac-Ibuprofen Amide |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 356.1±21.0 °C at 760 mmHg |
| Melting Point | 110-114ºC |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.296 |
| Flash Point | 169.1±22.1 °C |
| Exact Mass | 205.146667 |
| PSA | 43.09000 |
| LogP | 2.67 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.520 |
| InChIKey | REUQKCDCQVNKLW-UHFFFAOYSA-N |
| SMILES | CC(C)Cc1ccc(C(C)C(N)=O)cc1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 2 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by ...
Source: ChEMBL
Target: Epoxide hydrolase 1
External Id: CHEMBL4686507
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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|
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-[4-(2-methylpropyl)phenyl]propanamide |
| 2-(4-Isobutylphenyl)propanamide |
| UNII:74M0104F2J |
| α-Methyl-4-(2-methylpropyl)benzeneacetamide |
| (2RS)-2-[4-(2-Methylpropyl)Phenyl]Propanamide |
| Ibuprofen Impurity 3 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of rac-Ibuprofen Amide? |
| A: SMILES notation of rac-Ibuprofen Amide is CC(C)Cc1ccc(C(C)C(N)=O)cc1. |
| Q: What is the LogP of rac-Ibuprofen Amide? |
| A: LogP of rac-Ibuprofen Amide is 2.67. |
| Q: What is the InChIKey of rac-Ibuprofen Amide? |
| A: InChIKey of rac-Ibuprofen Amide is REUQKCDCQVNKLW-UHFFFAOYSA-N. |
| Q: What are the downstream products of rac-Ibuprofen Amide? |
| A: Related downstream products(CAS) of rac-Ibuprofen Amide: 38861-78-8;58609-73-7. |
| Q: What is the boiling point of rac-Ibuprofen Amide? |
| A: Boiling point of rac-Ibuprofen Amide is 356.1±21.0 °C at 760 mmHg. |
| Q: What is the melting point of rac-Ibuprofen Amide? |
| A: Melting point of rac-Ibuprofen Amide is 110-114ºC. |
| Q: What is the English name of rac-Ibuprofen Amide? |
| A: The English name of rac-Ibuprofen Amide is rac-Ibuprofen Amide. |
| Q: What is the molecular formula of rac-Ibuprofen Amide? |
| A: Molecular formula of rac-Ibuprofen Amide is C13H19NO. |
| Q: What English synonyms does rac-Ibuprofen Amide have? |
| A: English synonyms of rac-Ibuprofen Amide: 2-[4-(2-methylpropyl)phenyl]propanamide, 2-(4-Isobutylphenyl)propanamide, UNII:74M0104F2J, α-Methyl-4-(2-methylpropyl)benzeneacetamide, (2RS)-2-[4-(2-Methylpropyl)Phenyl]Propanamide, Ibuprofen Impurity 3. |
| Q: What are the upstream materials of rac-Ibuprofen Amide? |
| A: Related upstream materials(CAS) of rac-Ibuprofen Amide: 71381-91-4;58609-73-7;15687-27-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |