Terbinafine dimer - ≥95% , CAS No.934365-23-8

CAS: 934365-23-8 Cat. No.: T970524 PubChem CID: 11420652

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

仕様と純度

≥95%

保管条件

Room temperature

純度

≥95%

名前と識別子

• カノニカル・スマイル: CC(C)(C)C#CC=C(CN(C)CC1=CC=CC2=CC=CC=C21)C=CCN(C)CC3=CC=CC4=CC=CC=C43
• IUPAC Name: (E,4E)-4-(4,4-dimethylpent-2-ynylidene)-N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)pent-2-ene-1,5-diamine
• InChIKey: YZZQDUPUWRZTLM-YQGGXCSUSA-N
• INCHI: 1S/C36H40N2/c1-36(2,3)24-12-14-29(26-38(5)28-33-21-11-19-31-17-7-9-23-35(31)33)15-13-25-37(4)27-32-20-10-18-30-16-6-8-22-34(30)32/h6-11,13-23H,25-28H2,1-5H3/b15-13+,29-14+
• 異性体SMILES: CC(C)(C)C#C/C=C(/CN(C)CC1=CC=CC2=CC=CC=C21)\C=C\CN(C)CC3=CC=CC4=CC=CC=C43
• 代替CAS番号: 934365-23-8
• PubChem CID: 11420652

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aralkylamines Trialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

化学的性質と物理的性質

• 分子量: 500.700 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 500.319 Da
• Monoisotopic Mass: 500.319 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 848.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 934365-23-8. InChIKey YZZQDUPUWRZTLM-YQGGXCSUSA-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.