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

CAS: 3733-63-9 Cat. No.: D341754 Summenformel: C₂₁H₂₈N₂O₂ Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528770406
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Brechungsindex: n20D1.58 (Predicted)
• Siedepunkt (°C): 472.4° C at 760 mmHg
• Schmelzpunkt (°C): 207-212° C
• Molekulargewicht: 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