1-(p-Tolyl)-3-adamantanecarboxylic acid
1-(p-Tolyl)-3-adamantanecarboxylic acid structure
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Common Name | 1-(p-Tolyl)-3-adamantanecarboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 56531-69-2 | Molecular Weight | 270.366 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 424.3±24.0 °C at 760 mmHg | |
| Molecular Formula | C18H22O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 197.4±17.6 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(4-Methylphenyl)adamantane-1-carboxylic acid |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 424.3±24.0 °C at 760 mmHg |
| Molecular Formula | C18H22O2 |
| Molecular Weight | 270.366 |
| Flash Point | 197.4±17.6 °C |
| Exact Mass | 270.161987 |
| PSA | 37.30000 |
| LogP | 4.49 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.615 |
| InChIKey | UWPMIBVQZDSYNA-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C23CC4CC(CC(C(=O)O)(C4)C2)C3)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.
| HS Code | 2916399090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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 screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: Fluorescence-based counterscreen assay for HCV NS3 helicase inhibitors of a ChemBridg...
Source: 1102
Target: N/A
External Id: 20130627FPNS3INTERFERECB
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Name: Fluorescence polarization based primary biochemical high throughput screening assay o...
Source: 1102
Target: NS3 [Hepatitis C virus]
External Id: 20130624FPNS3DACB
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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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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(p-Tolyl)-3-adamantanecarboxylic acid |
| 1-(p-tolyl)-3-adamantanecarboxylicaci |
| (1s,3r,5R,7S)-3-(4-Methylphenyl)-1-adamantanecarboxylic acid |
| tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid,3-(4-methy |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: Boiling point of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 424.3±24.0 °C at 760 mmHg. |
| Q: What is the English name of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: The English name of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 3-(4-Methylphenyl)adamantane-1-carboxylic acid. |
| Q: What English synonyms does 3-(4-Methylphenyl)adamantane-1-carboxylic acid have? |
| A: English synonyms of 3-(4-Methylphenyl)adamantane-1-carboxylic acid: 1-(p-Tolyl)-3-adamantanecarboxylic acid, 1-(p-tolyl)-3-adamantanecarboxylicaci, (1s,3r,5R,7S)-3-(4-Methylphenyl)-1-adamantanecarboxylic acid, tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid,3-(4-methy. |
| Q: What is the InChIKey of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: InChIKey of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is UWPMIBVQZDSYNA-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: Molecular formula of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is C18H22O2. |
| Q: What is the LogP of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: LogP of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 4.49. |
| Q: What are the upstream materials of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: Related upstream materials(CAS) of 3-(4-Methylphenyl)adamantane-1-carboxylic acid: 21816-08-0;108-88-3. |
| Q: What is the molecular weight of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: Molecular weight of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 270.366. |
| Q: What is the CAS number of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: CAS number of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 56531-69-2. |
| Q: What is the polar surface area (PSA) of 3-(4-Methylphenyl)adamantane-1-carboxylic acid? |
| A: Polar surface area (PSA) of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 37.30000. |
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. |