1-propyl-1H-benzoimidazol-2-ylamine
1-propyl-1H-benzoimidazol-2-ylamine structure
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Common Name | 1-propyl-1H-benzoimidazol-2-ylamine | ||
|---|---|---|---|---|
| CAS Number | 57667-50-2 | Molecular Weight | 175.23000 | |
| Density | 1.18g/cm3 | Boiling Point | 349.7ºC at 760mmHg | |
| Molecular Formula | C10H13N3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 165.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-propylbenzimidazol-2-amine |
|---|---|
| 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 | 1.18g/cm3 |
|---|---|
| Boiling Point | 349.7ºC at 760mmHg |
| Molecular Formula | C10H13N3 |
| Molecular Weight | 175.23000 |
| Flash Point | 165.3ºC |
| Exact Mass | 175.11100 |
| PSA | 43.84000 |
| LogP | 2.60970 |
| Index of Refraction | 1.624 |
| InChIKey | MGKUHRRJQCKXOW-UHFFFAOYSA-N |
| SMILES | CCCn1c(N)nc2ccccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~64%
1-propyl-1H-ben... CAS#:57667-50-2 |
| Literature: GLAXOSMITHKLINE LLC; LAFRANCE, Louis, Vincent; LEBER, Jack, Dale; LI, Mei; VERMA, Sharad, Kumar Patent: WO2010/126922 A1, 2010 ; Location in patent: Page/Page column 15 ; WO 2010/126922 A1 |
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~59%
1-propyl-1H-ben... CAS#:57667-50-2 |
| Literature: Di Braccio, Mario; Grossi, Giancarlo; Signorello, Maria Grazia; Leoncini, Giuliana; Cichero, Elena; Fossa, Paola; Alfei, Silvana; Damonte, Gianluca European Journal of Medicinal Chemistry, 2013 , vol. 62, p. 564 - 578 |
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~%
1-propyl-1H-ben... CAS#:57667-50-2 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 18, # 7 p. 2414 - 2419 |
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~%
1-propyl-1H-ben... CAS#:57667-50-2 |
| Literature: European Journal of Medicinal Chemistry, , vol. 41, # 9 p. 1080 - 1083 |
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~%
1-propyl-1H-ben... CAS#:57667-50-2 |
| Literature: Bioorganic and Medicinal Chemistry, , vol. 15, # 18 p. 6291 - 6297 |
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: 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: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-propylbenzimidazole-2-ylamine |
| MFCD00964693 |
| 1-Propyl-1H-benzoimidazol-2-ylamine |
| 2-Amino-1-propyl-benzimidazol |
| F2124-0423 |
| 1-propyl-1H-benzimidazol-2-amine |
| 2-amino-1-propyl-1H-benzimidazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1-propylbenzimidazol-2-amine? |
| A: InChIKey of 1-propylbenzimidazol-2-amine is MGKUHRRJQCKXOW-UHFFFAOYSA-N. |
| Q: What is the CAS number of 1-propylbenzimidazol-2-amine? |
| A: CAS number of 1-propylbenzimidazol-2-amine is 57667-50-2. |
| Q: What is the molecular weight of 1-propylbenzimidazol-2-amine? |
| A: Molecular weight of 1-propylbenzimidazol-2-amine is 175.23000. |
| Q: What English synonyms does 1-propylbenzimidazol-2-amine have? |
| A: English synonyms of 1-propylbenzimidazol-2-amine: 1-propylbenzimidazole-2-ylamine, MFCD00964693, 1-Propyl-1H-benzoimidazol-2-ylamine, 2-Amino-1-propyl-benzimidazol, F2124-0423, 1-propyl-1H-benzimidazol-2-amine, 2-amino-1-propyl-1H-benzimidazole. |
| Q: What is the LogP of 1-propylbenzimidazol-2-amine? |
| A: LogP of 1-propylbenzimidazol-2-amine is 2.60970. |
| Q: What is the SMILES notation of 1-propylbenzimidazol-2-amine? |
| A: SMILES notation of 1-propylbenzimidazol-2-amine is CCCn1c(N)nc2ccccc21. |
| Q: What is the molecular formula of 1-propylbenzimidazol-2-amine? |
| A: Molecular formula of 1-propylbenzimidazol-2-amine is C10H13N3. |
| Q: What is the boiling point of 1-propylbenzimidazol-2-amine? |
| A: Boiling point of 1-propylbenzimidazol-2-amine is 349.7ºC at 760mmHg. |
| Q: What is the English name of 1-propylbenzimidazol-2-amine? |
| A: The English name of 1-propylbenzimidazol-2-amine is 1-propylbenzimidazol-2-amine. |
| Q: What is the polar surface area (PSA) of 1-propylbenzimidazol-2-amine? |
| A: Polar surface area (PSA) of 1-propylbenzimidazol-2-amine is 43.84000. |
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. |