Lerimazoline , CAS No.54765-26-3

CAS: 54765-26-3 Cat. No.: L668788 Formule: C₁₃H₁₈N₂ Poids moléculaire: 202.3 PubChem CID: 3016908

Synonyms

Lerimazoline | Lerimazoline [INN] | ST-71 | 1YZY0ACA91 | 2-(2,4,6-trimethylbenzyl)-4,5-dihydro-1H-imidazole | 1H-Imidazole, 4,5-dihydro-2-((2,4,6-trimethylphenyl)methyl)- | Trimazoline | Trimizoline | 4,5-dihydro-2-[(2,4,6-trimethylphenyl)methyl]-1h-imida

Storage

Room temperature

Specifications

Synonymes

Lerimazoline | Lerimazoline [INN] | ST-71 | 1YZY0ACA91 | 2-(2,4,6-trimethylbenzyl)-4,5-dihydro-1H-imidazole | 1H-Imidazole, 4,5-dihydro-2-((2,4,6-trimethylphenyl)methyl)- | Trimazoline | Trimizoline | 4,5-dihydro-2-[(2,4,6-trimethylphenyl)methyl]-1h-imida

Conditions de stockage de stockage

Room temperature

Propriétés du produit

• ALogP: 1.9

Noms et identifiants

• Sourires canoniques: CC1=CC(=C(C(=C1)C)CC2=NCCN2)C
• IUPAC Name: 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
• InChIKey: DUHARNKZLBMPBS-UHFFFAOYSA-N
• INCHI: 1S/C13H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13/h6-7H,4-5,8H2,1-3H3,(H,14,15)
• Isomères SMILES: CC1=CC(=C(C(=C1)C)CC2=NCCN2)C
• PubChem CID: 3016908
• Poids moléculaire: 202.3

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 Hydrocarbon derivatives Amines
• 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 - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 202.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 202.147 Da
• Monoisotopic Mass: 202.147 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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

The CAS Number is 54765-26-3, the molecular formula is C13H18N2, and the molecular weight is 202.3 g/mol. InChIKey DUHARNKZLBMPBS-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.