2-Phenylimidazoline - ≥98%(HPLC) , CAS No.936-49-2

CAS: 936-49-2 Cat. No.: P160437 Fórmula: C₉H₁₀N₂ Peso molecular: 146.19 Beilstein Registry Number: 119250 Número CE: 213-313-4 PubChem CID: 13639

GRADE & PURITY ≥98%(HPLC)

Synonyms

STK367860 | STR05026 | BRN 0119250 | W-100236 | DTXSID5061322 | EC 213-313-4 | FT-0762475 | NSC 54747 | NSC-54747 | Z283858536 | 2-Phenyl-4,5-dihydroimidazole | 2-Imidazoline, 2-phenyl- (6CI,7CI,8CI); 2-Phenyl-2-imidazoline | 2-Phenyl-2-imidazoline | 2-Ph

Storage

Room temperature

Shipped In

Normal

Visão geral

Catalyst for: . N-arylation of indoles . Epoxy-carbonyl reactions

Specifications

Sinónimos

STK367860 | STR05026 | BRN 0119250 | W-100236 | DTXSID5061322 | EC 213-313-4 | FT-0762475 | NSC 54747 | NSC-54747 | Z283858536 | 2-Phenyl-4,5-dihydroimidazole | 2-Imidazoline, 2-phenyl- (6CI,7CI,8CI); 2-Phenyl-2-imidazoline | 2-Phenyl-2-imidazoline | 2-Ph

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504752477

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752477

Sorrisos canónicos

C1CN=C(N1)C2=CC=CC=C2

IUPAC Name

2-phenyl-4,5-dihydro-1H-imidazole

InChIKey

BKCCAYLNRIRKDJ-UHFFFAOYSA-N

INCHI

1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)

SMILES isoméricas

C1CN=C(N1)C2=CC=CC=C2

WGK Alemanha

3

RTECS

NJ4395500

PubChem CID

13639

Peso molecular

146.19

Beilstein

119250

Reaxy-Rn

119250

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Imidolactams Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidolactam - Monocyclic benzene moiety - 2-imidazoline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

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)

NISCH Tclin Nischarin (1 Activities)

Discover Target: NISCH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

NISCH Tclin Nischarin (304 Activities)

Discover Target: NISCH

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): 394°F
• Ponto de inflamação (°C): 201℃
• Ponto de ebulição (°C): 181 °C/20 mmHg
• Ponto de fusão (°C): 94 -104 °C
• Peso molecular: 146.190 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.084 Da
• Monoisotopic Mass: 146.084 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 936-49-2, the molecular formula is C9H10N2, and the molecular weight is 146.19 g/mol. InChIKey BKCCAYLNRIRKDJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.