3-Amino-4-phenylbutanoic acid
3-Amino-4-phenylbutanoic acid structure
|
Common Name | 3-Amino-4-phenylbutanoic acid | ||
|---|---|---|---|---|
| CAS Number | 15099-85-1 | Molecular Weight | 179.216 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 329.5±30.0 °C at 760 mmHg | |
| Molecular Formula | C10H13NO2 | Melting Point | 270-275 °C (dec.)(lit.) | |
| MSDS | USA | Flash Point | 153.1±24.6 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Amino-4-phenylbutanoic 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 | 329.5±30.0 °C at 760 mmHg |
| Melting Point | 270-275 °C (dec.)(lit.) |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.216 |
| Flash Point | 153.1±24.6 °C |
| Exact Mass | 179.094635 |
| PSA | 63.32000 |
| LogP | 1.33 |
| Appearance of Characters | powder |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.565 |
| InChIKey | OFVBLKINTLPEGH-UHFFFAOYSA-N |
| SMILES | NC(CC(=O)O)Cc1ccccc1 |
| Water Solubility | H2O: 0.1 M at 20 °C, clear, colorless |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | AY7535000 |
| HS Code | 2922499990 |
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 8 | |
|---|---|
| DownStream 2 | |
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CAS#:120378-17-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922499990 |
|---|---|
| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) 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: Inhibition of aminopeptidase A (APA) at 0.4 mM
Source: ChEMBL
Target: Glutamyl aminopeptidase
External Id: CHEMBL646205
|
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Name: Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, ...
Source: ChEMBL
Target: Aminopeptidase N
External Id: CHEMBL646402
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| β-Phenylalanine |
| EINECS 200-568-1 |
| MFCD00064227 |
| 3-Amino-4-phenylbutanoic acid |
| DL-β-Homophenylalanine |
| L-Phenylalanine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 3-Amino-4-phenylbutanoic acid? |
| A: Melting point of 3-Amino-4-phenylbutanoic acid is 270-275 °C (dec.)(lit.). |
| Q: What is the CAS number of 3-Amino-4-phenylbutanoic acid? |
| A: CAS number of 3-Amino-4-phenylbutanoic acid is 15099-85-1. |
| Q: What is the safety information for 3-Amino-4-phenylbutanoic acid? |
| A: Safety information for 3-Amino-4-phenylbutanoic acid: S22-S24/25. |
| Q: How is the water solubility of 3-Amino-4-phenylbutanoic acid? |
| A: Water solubility of 3-Amino-4-phenylbutanoic acid: H2O: 0.1 M at 20 °C, clear, colorless. |
| Q: What is the InChIKey of 3-Amino-4-phenylbutanoic acid? |
| A: InChIKey of 3-Amino-4-phenylbutanoic acid is OFVBLKINTLPEGH-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 3-Amino-4-phenylbutanoic acid? |
| A: SMILES notation of 3-Amino-4-phenylbutanoic acid is NC(CC(=O)O)Cc1ccccc1. |
| Q: What is the English name of 3-Amino-4-phenylbutanoic acid? |
| A: The English name of 3-Amino-4-phenylbutanoic acid is 3-Amino-4-phenylbutanoic acid. |
| Q: What are the downstream products of 3-Amino-4-phenylbutanoic acid? |
| A: Related downstream products(CAS) of 3-Amino-4-phenylbutanoic acid: 120686-17-1;120378-17-8. |
| Q: What is the polar surface area (PSA) of 3-Amino-4-phenylbutanoic acid? |
| A: Polar surface area (PSA) of 3-Amino-4-phenylbutanoic acid is 63.32000. |
| Q: What is the LogP of 3-Amino-4-phenylbutanoic acid? |
| A: LogP of 3-Amino-4-phenylbutanoic acid is 1.33. |
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. |
| Henan Tianfu Chemical Co., Ltd. |