(1S)-1-(4-Nitrophenyl)ethanamine
(1S)-1-(4-Nitrophenyl)ethanamine structure
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Common Name | (1S)-1-(4-Nitrophenyl)ethanamine | ||
|---|---|---|---|---|
| CAS Number | 4187-53-5 | Molecular Weight | 166.177 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 288.8±23.0 °C at 760 mmHg | |
| Molecular Formula | C8H10N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 128.4±22.6 °C | |
Summary: (S)-4- Nitro-Α- Methylbenzylamine, also known as (1S)-1-(4-Nitrophenyl)ethanamine, has a CAS number of 4187-53-5, with a molecular formula of C8H10N2O2 and a molecular weight of 166.177. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (1S)-1-(4-nitrophenyl)ethanamine |
|---|---|
| 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 | 288.8±23.0 °C at 760 mmHg |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.177 |
| Flash Point | 128.4±22.6 °C |
| Exact Mass | 166.074234 |
| PSA | 71.84000 |
| LogP | 1.17 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.577 |
| InChIKey | RAEVOBPXEHVUFY-LURJTMIESA-N |
| SMILES | CC(N)c1ccc([N+](=O)[O-])cc1 |
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 1 | |
CAS#:80965-22-6
CAS#:100-19-6
CAS#:1434603-08-3![2,2,2-Trifluoro-N-[(1S)-1-phenylethyl]acetamide Structure](https://image.chemsrc.com/caspic/196/2354-91-8.png)
CAS#:2354-91-8
CAS#:22454-71-3![(E)-N-[1-(4-nitrophenyl)ethylidene]hydroxylamine Structure](https://image.chemsrc.com/caspic/270/59862-56-5.png)
CAS#:59862-56-5
CAS#:19144-86-6
CAS#:4187-54-6
CAS#:65645-32-1This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Chan-Lam from Article : "Open science discovery of potent noncovalent SARS-CoV-2 main...
Source: BindingDB
Target: N/A
External Id: BindingDB_11549_1
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (S)-4-Nitro-alpha-methylbenzylamine |
| (1S)-1-(4-Nitrophenyl)ethanamine |
| (S)-(+)-α-methyl-4-nitrobenzylamine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: SMILES notation of (1S)-1-(4-nitrophenyl)ethanamine is CC(N)c1ccc([N+](=O)[O-])cc1. |
| Q: What English synonyms does (1S)-1-(4-nitrophenyl)ethanamine have? |
| A: English synonyms of (1S)-1-(4-nitrophenyl)ethanamine: (S)-4-Nitro-alpha-methylbenzylamine, (1S)-1-(4-Nitrophenyl)ethanamine, (S)-(+)-α-methyl-4-nitrobenzylamine. |
| Q: What is the CAS number of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: CAS number of (1S)-1-(4-nitrophenyl)ethanamine is 4187-53-5. |
| Q: What is the polar surface area (PSA) of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: Polar surface area (PSA) of (1S)-1-(4-nitrophenyl)ethanamine is 71.84000. |
| Q: What is the InChIKey of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: InChIKey of (1S)-1-(4-nitrophenyl)ethanamine is RAEVOBPXEHVUFY-LURJTMIESA-N. |
| Q: What are the upstream materials of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: Related upstream materials(CAS) of (1S)-1-(4-nitrophenyl)ethanamine: 80965-22-6;100-19-6;1434603-08-3;2354-91-8;22454-71-3;59862-56-5;19144-86-6;4187-54-6. |
| Q: What is the molecular formula of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: Molecular formula of (1S)-1-(4-nitrophenyl)ethanamine is C8H10N2O2. |
| Q: What are the downstream products of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: Related downstream products(CAS) of (1S)-1-(4-nitrophenyl)ethanamine: 65645-32-1. |
| Q: What is the English name of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: The English name of (1S)-1-(4-nitrophenyl)ethanamine is (1S)-1-(4-nitrophenyl)ethanamine. |
| Q: What is the molecular weight of (1S)-1-(4-nitrophenyl)ethanamine? |
| A: Molecular weight of (1S)-1-(4-nitrophenyl)ethanamine is 166.177. |
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. |