Decloxizin - Moligand™, ≥98% , CAS No.3733-63-9

CAS: 3733-63-9 Cat. No.: D341754 分子式: C₂₁H₂₈N₂O₂ 分子量: 340.46

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanol | NSC289116 | UCB-1402

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

2-(2-(4-Benzhydrylpiperazin-1-yl)ethoxy)ethanol | NSC289116 | UCB-1402

仕様と純度

Moligand™, ≥98%

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• パブケム・シド: 528770406
• カノニカル・スマイル: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol
• InChIKey: OXBBIHZWNDPBMQ-UHFFFAOYSA-N
• INCHI: 1S/C21H28N2O2/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21,24H,11-18H2
• 異性体SMILES: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3
• 分子量: 340.46
• Reaxy-Rn: 306385
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=306385&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-alkylpiperazines Aralkylamines Trialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Amine - Alcohol - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

• 感度: light sensitive
• 屈折率: n20D1.58 (Predicted)
• 沸点（°C）: 472.4° C at 760 mmHg
• 融点（°C）: 207-212° C
• 分子量: 340.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 340.215 Da
• Monoisotopic Mass: 340.215 Da
• Topological Polar Surface Area: 35.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 328.000
• 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