UNII:2FZ7LD4B44 structure
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Common Name | UNII:2FZ7LD4B44 | ||
|---|---|---|---|---|
| CAS Number | 488787-59-3 | Molecular Weight | 342.407 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 537.2±50.0 °C at 760 mmHg | |
| Molecular Formula | C20H23FN2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 278.7±30.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile |
|---|---|
| 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 | 537.2±50.0 °C at 760 mmHg |
| Molecular Formula | C20H23FN2O2 |
| Molecular Weight | 342.407 |
| Flash Point | 278.7±30.1 °C |
| Exact Mass | 342.174347 |
| PSA | 67.49000 |
| LogP | 2.22 |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.598 |
| InChIKey | GNULRNVWXYXBQY-FQEVSTJZSA-N |
| SMILES | CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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UNII:2FZ7LD4B44 CAS#:488787-59-3
Learn More
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| Literature: Cotticelli, Giovanni; Rocchietti, Silvia; Terreni, Marco; Pregnolato, Massimo; Salvetti, Raul Patent: US2007/238887 A1, 2007 ; Location in patent: Page/Page column 3-4 ; |
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UNII:2FZ7LD4B44 CAS#:488787-59-3 |
| Literature: Cotticelli, Giovanni; Rocchietti, Silvia; Terreni, Marco; Pregnolato, Massimo; Salvetti, Raul Patent: US2007/238887 A1, 2007 ; Location in patent: Page/Page column 4 ; |
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UNII:2FZ7LD4B44 CAS#:488787-59-3 |
| Literature: SANDOZ AG Patent: WO2007/82771 A1, 2007 ; Location in patent: Page/Page column 23 ; |
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~72%
UNII:2FZ7LD4B44 CAS#:488787-59-3 |
| Literature: Hangzhou Minsheng Pharm. Co., Ltd. Patent: EP1700851 A1, 2006 ; Location in patent: Page/Page column 9 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 3 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| UNII:2FZ7LD4B44 |
| Q1R CCN FXQR DF&3N1&1 |
| 4-[(1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile |
| 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile |
| Q1R CCN FXQR DF&3N1&1 &&S Form |
| (RS)-4-(4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: Polar surface area (PSA) of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is 67.49000. |
| Q: What is the molecular weight of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: Molecular weight of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is 342.407. |
| Q: What is the LogP of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: LogP of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is 2.22. |
| Q: What English synonyms does (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile have? |
| A: English synonyms of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile: UNII:2FZ7LD4B44, Q1R CCN FXQR DF&3N1&1, 4-[(1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile, 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile, Q1R CCN FXQR DF&3N1&1 &&S Form, (RS)-4-(4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile. |
| Q: What are the upstream materials of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: Related upstream materials(CAS) of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile: 103146-25-4;674806-15-6;674806-14-5;260371-16-2;19070-16-7. |
| Q: What are the downstream products of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: Related downstream products(CAS) of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile: 59729-33-8;128196-01-0;219861-08-2. |
| Q: What is the English name of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: The English name of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile. |
| Q: What is the InChIKey of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: InChIKey of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is GNULRNVWXYXBQY-FQEVSTJZSA-N. |
| Q: What is the boiling point of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: Boiling point of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is 537.2±50.0 °C at 760 mmHg. |
| Q: What is the molecular formula of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile? |
| A: Molecular formula of (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile is C20H23FN2O2. |
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. |