1-(3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
1-(3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine structure
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Common Name | 1-(3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine | ||
|---|---|---|---|---|
| CAS Number | 32787-80-7 | Molecular Weight | 217.18400 | |
| Density | 1.44g/cm3 | Boiling Point | 425.1ºC at 760 mmHg | |
| Molecular Formula | C9H7N5O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 210.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.44g/cm3 |
|---|---|
| Boiling Point | 425.1ºC at 760 mmHg |
| Molecular Formula | C9H7N5O2 |
| Molecular Weight | 217.18400 |
| Flash Point | 210.9ºC |
| Exact Mass | 217.06000 |
| PSA | 88.89000 |
| LogP | 1.59170 |
| Index of Refraction | 1.69 |
| InChIKey | FAUGLCGCOYUPKR-LFYBBSHMSA-N |
| SMILES | O=[N+]([O-])c1cccc(C=Nn2cnnc2)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-(3-nitropheny... CAS#:32787-80-7 |
| Literature: Letunov, V. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 145 - 149 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 1 p. 162 - 166 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: A screen for small molecule inhibitors of the human deubiquitinating enzyme, UCH37
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ubiquitin C-terminal hydrolase UCH37 [Homo sapiens]
External Id: HMS937_MLP
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Name: A screen for compounds that inhibit growth of Escherichia coli
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1158_MLP
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Name: A screen for compounds that are lethal to S. aureus RN4220
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1364-MLP_WT
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Name: A screen for compounds that are lethal to S. aureus RN4220 with the processive glycos...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1364-MLP_ugtP
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Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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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 (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: Polar surface area (PSA) of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is 88.89000. |
| Q: What is the molecular formula of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: Molecular formula of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is C9H7N5O2. |
| Q: What is the Chinese name of 32787-80-7? |
| A: Chinese name of 32787-80-7 is 32787-80-7. |
| Q: What are the upstream materials of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: Related upstream materials(CAS) of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine: 584-13-4;99-61-6. |
| Q: What is the molecular weight of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: Molecular weight of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is 217.18400. |
| Q: What is the boiling point of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: Boiling point of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is 425.1ºC at 760 mmHg. |
| Q: What is the InChIKey of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: InChIKey of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is FAUGLCGCOYUPKR-LFYBBSHMSA-N. |
| Q: What is the CAS number of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: CAS number of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is 32787-80-7. |
| Q: What is the LogP of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: LogP of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is 1.59170. |
| Q: What is the English name of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine? |
| A: The English name of (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine is (E)-1-(3-nitrophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |