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

CAS: 288-32-4 Cat. No.: I108705 分子式: C₃H₄N₂ 分子量: 68.08 Beilstein Registry Number: 103853 EC番号: 206-019-2

GRADE & PURITY for Fluorescence analysis, ≥99.5%

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

Desiccated,Room temperature

Shipped In

Normal

Specifications

同義語

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

仕様と純度

for fluorescence analysis, ≥99.5%

保管条件

Desiccated,Room temperature

入荷

Normal

等級

蛍光分析用

純度

≥99.5%

名前と識別子

• パブケム・シド: 508812953
• カノニカル・スマイル: 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)
• 異性体SMILES: C1=CN=CN1
• WGKドイツ: 1
• RTECS: NI3325000
• UN番号: 2923
• 分子量: 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
    • 分類 Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

Discover Target: EPHX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: NOS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGIS Tchem Prostaglandin I2 synthase (104 Activities)

Discover Target: PTGIS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HL-60 (67320 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SW480 (6023 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A549 (127892 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)

Discover Target: QPCT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMMC-7721 (5516 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: FKBP5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHO (4503 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water; Soluble in Chloroform,Acetone,Alcohol; Slightly soluble in Benzene
• 感度: Air Sensitive
• 引火点（°C）: 145℃
• 沸点（°C）: 257°C
• 融点（°C）: 90-91°C
• 分子量: 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