Methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate
Methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate structure
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Common Name | Methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate | ||
|---|---|---|---|---|
| CAS Number | 283159-95-5 | Molecular Weight | 213.661 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 316.9±32.0 °C at 760 mmHg | |
| Molecular Formula | C10H12ClNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 145.4±25.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate |
|---|---|
| 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 | 316.9±32.0 °C at 760 mmHg |
| Molecular Formula | C10H12ClNO2 |
| Molecular Weight | 213.661 |
| Flash Point | 145.4±25.1 °C |
| Exact Mass | 213.055649 |
| PSA | 52.32000 |
| LogP | 1.93 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.544 |
| InChIKey | OWKAREWNOLQNOG-VIFPVBQESA-N |
| SMILES | COC(=O)CC(N)c1ccc(Cl)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Methyl (3S)-3-a... CAS#:283159-95-5 |
| Literature: Advanced Synthesis and Catalysis, , vol. 352, # 2-3 p. 395 - 406 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Phenotypic growth assay for Mycobacterium tuberculosis grown for 4 days on DPPC, chol...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649948
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Name: Phenotypic growth assay for Mycobacterium tuberculosis grown for 3 days on 7H9, gluco...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649949
|
|
Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
|
|
Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
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Name: Antibacterial activity against Pseudomonas aeruginosa PAO397 [PAO1 d(mexAB-oprM) d(me...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296802
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (S)-Methyl 3-amino-3-(4-chlorophenyl)propanoate |
| Methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: Related upstream materials(CAS) of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate: 67-56-1;131690-60-3. |
| Q: What is the InChIKey of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: InChIKey of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is OWKAREWNOLQNOG-VIFPVBQESA-N. |
| Q: What is the polar surface area (PSA) of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: Polar surface area (PSA) of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is 52.32000. |
| Q: What is the CAS number of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: CAS number of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is 283159-95-5. |
| Q: What is the molecular formula of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: Molecular formula of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is C10H12ClNO2. |
| Q: What is the SMILES notation of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: SMILES notation of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is COC(=O)CC(N)c1ccc(Cl)cc1. |
| Q: What is the LogP of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: LogP of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is 1.93. |
| Q: What is the boiling point of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: Boiling point of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is 316.9±32.0 °C at 760 mmHg. |
| Q: What is the molecular weight of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: Molecular weight of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is 213.661. |
| Q: What is the English name of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate? |
| A: The English name of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate is methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate. |
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. |