(S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride structure
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Common Name | (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride | ||
|---|---|---|---|---|
| CAS Number | 83649-47-2 | Molecular Weight | 201.650 | |
| Density | N/A | Boiling Point | 338.4ºC at 760 mmHg | |
| Molecular Formula | C9H12ClNO2 | Melting Point | 179-184 °C | |
| MSDS | N/A | Flash Point | 158.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride |
|---|---|
| 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.
| Boiling Point | 338.4ºC at 760 mmHg |
|---|---|
| Melting Point | 179-184 °C |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.650 |
| Flash Point | 158.5ºC |
| Exact Mass | 201.055649 |
| PSA | 63.32000 |
| LogP | 2.66340 |
| InChIKey | ABEBCTCOPRULFS-QRPNPIFTSA-N |
| SMILES | Cl.NC(CC(=O)O)c1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. Chronic: Chronic exposure may cause effects similar to those of acute exposure. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 83649-47-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystals Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 179 - 184 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H11NO2.HCl Molecular Weight: 201.66 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 83649-47-2 unlisted. LD50/LC50: Not available. Carcinogenicity: (S)-(+)-3-Amino-3-phenylpropionic acid hydrochloride - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Fish: Pseudomonas putida: Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 83649-47-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 83649-47-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 83649-47-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | C:Corrosive; |
|---|---|
| Risk Phrases | R34 |
| Safety Phrases | S45-S36/37/39-S26 |
| 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 6 | |
|---|---|
| DownStream 1 | |
This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3R)-3-Amino-3-phenylpropanoic acid hydrochloride (1:1) |
| Salt&S-3-amino-3-phenylpropionic acid hydrochloride |
| (3R)-3-amino-3-phenylpropanoic acid hydrochloride |
| (3S)-3-Amino-3-phenylpropanoic acid hydrochloride (1:1) |
| MFCD03092945 |
| RARECHEM AK PT 0078 |
| Benzenepropanoic acid, β-amino-, (βR)-, hydrochloride (1:1) |
| Benzenepropanoic acid, β-amino-, (βS)-, hydrochloride (1:1) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: InChIKey of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride is ABEBCTCOPRULFS-QRPNPIFTSA-N. |
| Q: What is the CAS number of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: CAS number of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride is 83649-47-2. |
| Q: What is the melting point of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: Melting point of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride is 179-184 °C. |
| Q: What is the safety information for (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: Safety information for (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride: S45-S36/37/39-S26. |
| Q: What is the English name of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: The English name of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride is (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride. |
| Q: What are the downstream products of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: Related downstream products(CAS) of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride: 14441-08-8. |
| Q: What are the upstream materials of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: Related upstream materials(CAS) of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride: 14676-01-8;37088-64-5;37088-66-7;374725-03-8;4383-23-7;875-74-1. |
| Q: What is the LogP of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: LogP of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride is 2.66340. |
| Q: What is the molecular weight of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: Molecular weight of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride is 201.650. |
| Q: What is the boiling point of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride? |
| A: Boiling point of (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride is 338.4ºC at 760 mmHg. |
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. |