Imidazoles - ≥99.5%, for buffer , CAS No.288-32-4

CAS: 288-32-4 Cat. No.: I108704 Formula: C₃H₄N₂ Molecular Weight: 68.08 Beilstein Registry Number: 103853 EC Number: 206-019-2

GRADE & PURITY ≥99.5%, for buffer

Synonyms

CHEBI:14434 | 1H-Imidazole | BRN 0103853 | SILDENAFIL CITRATE IMPURITY E [EP IMPURITY] | BDBM7882 | I0001 | Imidazole, ReagentPlus(R), 99% | FLUTRIMAZOLE IMPURITY A [EP IMPURITY] | Formamidine,N'-vinylene- | Glyoxaline solution | Him | NSC-60522 | UNII-7G

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

CHEBI:14434 | 1H-Imidazole | BRN 0103853 | SILDENAFIL CITRATE IMPURITY E [EP IMPURITY] | BDBM7882 | I0001 | Imidazole, ReagentPlus(R), 99% | FLUTRIMAZOLE IMPURITY A [EP IMPURITY] | Formamidine,N'-vinylene- | Glyoxaline solution | Him | NSC-60522 | UNII-7G

Specifications & Purity

≥99.5%, for buffer

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 508812954
• Canonical Smiles: C1=CN=CN1
• IUPAC Name: 1H-imidazole
• InChIKey: RAXXELZNTBOGNW-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
• Isomeric SMILES: C1=CN=CN1
• WGK Germany: 1
• RTECS: NI3325000
• UN Number: 2923
• Molecular Weight: 68.08
• Beilstein: 103853
• Reaxy-Rn: 103853
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• External Descriptors: an aromatic compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

Discover Target: EPHX1

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TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

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CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

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NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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PTGIS Tchem Prostaglandin I2 synthase (104 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HL-60 (67320 Activities)

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MCF7 (126967 Activities)

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SW480 (6023 Activities)

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A549 (127892 Activities)

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Lymphoblastoid cell (5959 Activities)

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QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)

Discover Target: QPCT

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SMMC-7721 (5516 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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FKBP5 Tchem Peptidyl-prolyl cis-trans isomerase FKBP5 (259 Activities)

Discover Target: FKBP5

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Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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CHO (4503 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, alcohol, acetone, and chloroform, slightly soluble in benzene
• Sensitivity: air sensitive
• x_flash_point_drop_centigrade: 145℃
• x_boil_point_char: 257°C
• x_melt_point_char: 90-91°C
• Molecular Weight: 68.080 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 68.0374 Da
• Monoisotopic Mass: 68.0374 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 28.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1