3-AMINO-4-PHENYLAMINO-BENZOIC ACID
3-AMINO-4-PHENYLAMINO-BENZOIC ACID structure
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Common Name | 3-AMINO-4-PHENYLAMINO-BENZOIC ACID | ||
|---|---|---|---|---|
| CAS Number | 55296-17-8 | Molecular Weight | 228.24700 | |
| Density | 1.34g/cm3 | Boiling Point | 441ºC at 760 mmHg | |
| Molecular Formula | C13H12N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 220.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-amino-4-anilinobenzoic 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 | 1.34g/cm3 |
|---|---|
| Boiling Point | 441ºC at 760 mmHg |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.24700 |
| Flash Point | 220.5ºC |
| Exact Mass | 228.09000 |
| PSA | 75.35000 |
| LogP | 3.36480 |
| Index of Refraction | 1.713 |
| InChIKey | SOSRJZNYVRVFOH-UHFFFAOYSA-N |
| SMILES | Nc1cc(C(=O)O)ccc1Nc1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2922499990 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-AMINO-4-PHENY... CAS#:55296-17-8 |
| Literature: Sumitomo Chemical Company, Limited Patent: EP2436683 A1, 2012 ; Location in patent: Page/Page column 44 ; |
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3-AMINO-4-PHENY... CAS#:55296-17-8 |
| Literature: Brink, Mikael; Dahlen, Anders; Olsson, Thomas; Polla, Magnus; Svensson, Tor Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 7 p. 2261 - 2268 |
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3-AMINO-4-PHENY... CAS#:55296-17-8 |
| Literature: Palmer, Brian D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 27 p. 5457 - 5465 |
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3-AMINO-4-PHENY... CAS#:55296-17-8 |
| Literature: Palmer, Brian D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 27 p. 5457 - 5465 |
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3-AMINO-4-PHENY... CAS#:55296-17-8 |
| Literature: Sumitomo Chemical Company, Limited Patent: EP2436683 A1, 2012 ; |
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3-AMINO-4-PHENY... CAS#:55296-17-8 |
| Literature: Schoepff Chemische Berichte, 1889 , vol. 22, p. 3287 Chemische Berichte, 1890 , vol. 23, p. 1842 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 2 | |
![2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid structure](https://image.chemsrc.com/caspic/193/92437-43-9.png)
CAS#:92437-43-9
CAS#:534-85-0This 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 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: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-amino-4-anilino-benzoic acid |
| 2-Amino-diphenylamin-carbonsaeure-(4) |
| 3-amino-4-phenylaminobenzoic acid |
| 3-Amino-4-anilino-benzoesaeure |
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 3-amino-4-anilinobenzoic acid? |
| A: SMILES notation of 3-amino-4-anilinobenzoic acid is Nc1cc(C(=O)O)ccc1Nc1ccccc1. |
| Q: What is the polar surface area (PSA) of 3-amino-4-anilinobenzoic acid? |
| A: Polar surface area (PSA) of 3-amino-4-anilinobenzoic acid is 75.35000. |
| Q: What are the upstream materials of 3-amino-4-anilinobenzoic acid? |
| A: Related upstream materials(CAS) of 3-amino-4-anilinobenzoic acid: 16927-49-4;2365-85-7;96-99-1;453-71-4;6319-40-0. |
| Q: What is the English name of 3-amino-4-anilinobenzoic acid? |
| A: The English name of 3-amino-4-anilinobenzoic acid is 3-amino-4-anilinobenzoic acid. |
| Q: What is the boiling point of 3-amino-4-anilinobenzoic acid? |
| A: Boiling point of 3-amino-4-anilinobenzoic acid is 441ºC at 760 mmHg. |
| Q: What is the CAS number of 3-amino-4-anilinobenzoic acid? |
| A: CAS number of 3-amino-4-anilinobenzoic acid is 55296-17-8. |
| Q: What is the LogP of 3-amino-4-anilinobenzoic acid? |
| A: LogP of 3-amino-4-anilinobenzoic acid is 3.36480. |
| Q: What are the downstream products of 3-amino-4-anilinobenzoic acid? |
| A: Related downstream products(CAS) of 3-amino-4-anilinobenzoic acid: 92437-43-9;534-85-0. |
| Q: What is the InChIKey of 3-amino-4-anilinobenzoic acid? |
| A: InChIKey of 3-amino-4-anilinobenzoic acid is SOSRJZNYVRVFOH-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-amino-4-anilinobenzoic acid have? |
| A: English synonyms of 3-amino-4-anilinobenzoic acid: 3-amino-4-anilino-benzoic acid, 2-Amino-diphenylamin-carbonsaeure-(4), 3-amino-4-phenylaminobenzoic acid, 3-Amino-4-anilino-benzoesaeure. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |