1-(3-MORPHOLIN-4-YLPHENYL)ETHANONE structure
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Common Name | 1-(3-MORPHOLIN-4-YLPHENYL)ETHANONE | ||
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| CAS Number | 36976-98-4 | Molecular Weight | 237.21200 | |
| Density | 1.47g/cm3 | Boiling Point | 468.7ºC at 760mmHg | |
| Molecular Formula | C10H11N3O4 | Melting Point | 144-146ºC | |
| MSDS | N/A | Flash Point | 237.3ºC | |
Summary: 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid (Chinese name: 1-(3-硝基-2-吡啶)-2-吡咯烷羧酸), molecular formula C10H11N3O4, molecular weight 237.21200, CAS number 36976-98-4. 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 | 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic 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 | 1.47g/cm3 |
|---|---|
| Boiling Point | 468.7ºC at 760mmHg |
| Melting Point | 144-146ºC |
| Molecular Formula | C10H11N3O4 |
| Molecular Weight | 237.21200 |
| Flash Point | 237.3ºC |
| Exact Mass | 237.07500 |
| PSA | 99.25000 |
| LogP | 1.63140 |
| Index of Refraction | 1.627 |
| InChIKey | RQFITJCVQDONTL-UHFFFAOYSA-N |
| SMILES | O=C(O)C1CCCN1c1ncccc1[N+](=O)[O-] |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
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| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-(3-MORPHOLIN-... CAS#:36976-98-4 |
| Literature: Abou-Gharbia, Magid; Freed, Meier E.; McCaully, Ronald J.; Silver, Paul J.; Wendt, Robert L. Journal of Medicinal Chemistry, 1984 , vol. 27, # 12 p. 1743 - 1746 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 2 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| HMS2658N06 |
| 1-(3-nitro-2-pyridinyl)-2-pyrrolidinecarboxylic acid |
| N-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid |
| 1-(3-Nitropyridin-2-yl)-pyrrolidine-2-carboxylic acid |
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 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: SMILES notation of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ncccc1[N+](=O)[O-]. |
| Q: What is the LogP of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: LogP of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid is 1.63140. |
| Q: What is the molecular formula of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: Molecular formula of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid is C10H11N3O4. |
| Q: What are the downstream products of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: Related downstream products(CAS) of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid: 91622-91-2;91622-97-8. |
| Q: What English synonyms does 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid have? |
| A: English synonyms of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid: HMS2658N06, 1-(3-nitro-2-pyridinyl)-2-pyrrolidinecarboxylic acid, N-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid, 1-(3-Nitropyridin-2-yl)-pyrrolidine-2-carboxylic acid. |
| Q: What is the molecular weight of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: Molecular weight of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid is 237.21200. |
| Q: What is the CAS number of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: CAS number of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid is 36976-98-4. |
| Q: What is the English name of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: The English name of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid is 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid. |
| Q: What is the InChIKey of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: InChIKey of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid is RQFITJCVQDONTL-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid? |
| A: Related upstream materials(CAS) of 1-(3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid: 5470-18-8;147-85-3. |
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. |