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

CAS: 288-32-4 Cat. No.: I108704 Fórmula: C₃H₄N₂ Peso molecular: 68.08 Beilstein Registry Number: 103853 Número CE: 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

Sinónimos

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

Especificações e pureza

≥99.5%, for buffer

Condições de armazenamento de armazenamento

Argon charged,Desiccated,Room temperature

Enviado em

Normal

Pureza

≥99.5%

Nomes e identificadores

Pubchem Sid

508812954

Sorrisos canónicos

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)

SMILES isoméricas

C1=CN=CN1

WGK Alemanha

1

RTECS

NI3325000

Número UN

2923

Peso molecular

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
    • Classe Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

Discover Target: EPHX1

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TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

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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)

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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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Alvos associados (não humanos)

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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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water, alcohol, acetone, and chloroform, slightly soluble in benzene
• Sensibilidade: air sensitive
• Ponto de inflamação (°C): 145℃
• Ponto de ebulição (°C): 257°C
• Ponto de fusão (°C): 90-91°C
• Peso molecular: 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