(3H-Imidazol-4-yl)-acetic acid HCl
(3H-Imidazol-4-yl)-acetic acid HCl structure
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Common Name | (3H-Imidazol-4-yl)-acetic acid HCl | ||
|---|---|---|---|---|
| CAS Number | 3251-69-2 | Molecular Weight | 162.574 | |
| Density | 1.426g/cm3 | Boiling Point | 447.3ºC at 760mmHg | |
| Molecular Formula | C5H7ClN2O2 | Melting Point | 218-222 °C(lit.) | |
| MSDS | USA | Flash Point | 224.3ºC | |
Use of (3H-Imidazol-4-yl)-acetic acid HClImidazole-4(5)-acetic Acid Hydrochloride is a competitive antagonist at GABAC receptors. |
Summary: 2-(1H-imidazol-5-yl)acetic acid, hydrochloride, also known as (3H-Imidazol-4-yl)-acetic acid HCl, has a CAS number of 3251-69-2, with a molecular formula of C5H7ClN2O2 and a molecular weight of 162.574. It is a white to light yellow crystalline powder with a melting point of 218-222°C. 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 | 2-(1H-imidazol-5-yl)acetic acid,hydrochloride |
|---|---|
| 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 | 1.426g/cm3 |
|---|---|
| Boiling Point | 447.3ºC at 760mmHg |
| Melting Point | 218-222 °C(lit.) |
| Molecular Formula | C5H7ClN2O2 |
| Molecular Weight | 162.574 |
| Flash Point | 224.3ºC |
| Exact Mass | 162.019608 |
| PSA | 65.98000 |
| LogP | 0.83880 |
| InChIKey | MWHLCFYPFGFBQO-UHFFFAOYSA-N |
| SMILES | Cl.O=C(O)Cc1cnc[nH]1 |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn,Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933290090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933290090 |
|---|---|
| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Chemical genetics reveals a complex functional ground state of neural stem cells.
Nat. Chem. Biol. 3(5) , 268-273, (2007) The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain canc... |
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Highly sensitive and specific detection of histamine via the formation of a self-assembled magic number cluster with thymine by mass spectrometry.
Analyst 139(12) , 3154-9, (2014) A novel method for the detection of histamine (HIM) via the formation of a self-assembled magic number cluster with thymine (T) by electrospray ionization tandem mass spectrometry (ESI-MS/MS) is descr... |
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Cross-talk between GlcNAcylation and phosphorylation: site-specific phosphorylation dynamics in response to globally elevated O-GlcNAc.
Proc. Natl. Acad. Sci. U. S. A. 105(37) , 13793-8, (2008) Protein GlcNAcylation serves as a nutrient/stress sensor to modulate the functions of many nuclear and cytoplasmic proteins. O-GlcNAc cycles on serine or threonine residues like phosphorylation, is ne... |
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: Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL1266185
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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: 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: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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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.
| 4-imidazole acetic acid hydrochloride |
| 4-imidazolacetic acid hydrochloride |
| 1H-imidazole-4-acetic acid hydrochloride |
| 2-(1H-Imidazol-5-yl)acetic acid hydrochloride |
| I4AA |
| MFCD00012698 |
| Imidazole-4(5)-acetic Acid Hydrochloride |
| 1H-Imidazol-4-ylacetic acid hydrochloride (1:1) |
| imidazol-4-ylacetic acid hydrochloride |
| EINECS 221-840-6 |
| 4-Imidazoleacetic acid HCl |
| Imidazole-4-acetic acid hydrochloride |
| (3H-Imidazol-4-yl)-acetic acid HCl |
| 1H-Imidazole-4-acetic acid, hydrochloride (1:1) |
| 4-Imidazoleacetic acid hydrochloride |
| 4-Carboxymethylimidazole Hydrochloride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: InChIKey of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is MWHLCFYPFGFBQO-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: Boiling point of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is 447.3ºC at 760mmHg. |
| Q: What is the LogP of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: LogP of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is 0.83880. |
| Q: What are the uses of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: Main uses of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride: Imidazole-4(5)-acetic Acid Hydrochloride is a competitive antagonist at GABAC receptors. |
| Q: What is the SMILES notation of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: SMILES notation of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is Cl.O=C(O)Cc1cnc[nH]1. |
| Q: What is the CAS number of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: CAS number of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is 3251-69-2. |
| Q: What is the melting point of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: Melting point of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is 218-222 °C(lit.). |
| Q: What is the English name of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: The English name of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is 2-(1H-imidazol-5-yl)acetic acid,hydrochloride. |
| Q: What are the storage conditions for 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: Storage conditions for 2-(1H-imidazol-5-yl)acetic acid,hydrochloride: 2-8°C. |
| Q: What is the molecular weight of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride? |
| A: Molecular weight of 2-(1H-imidazol-5-yl)acetic acid,hydrochloride is 162.574. |
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. |