1-Bis(4-fluorophenyl)methyl piperazine - CAS 27469-60-9
Catalog: |
BB019580 |
Product Name: |
1-Bis(4-fluorophenyl)methyl piperazine |
CAS: |
27469-60-9 |
Synonyms: |
1-[bis(4-fluorophenyl)methyl]piperazine |
IUPAC Name: | 1-[bis(4-fluorophenyl)methyl]piperazine |
Description: | 1-Bis(4-fluorophenyl)methyl piperazine (CAS# 27469-60-9) is a chemical reagent used in the synthesis of novel tubulin polymerization inhibitors. Also used in the synthesis of novel benzhydrylpiperazine carboxamide derivatives. |
Molecular Weight: | 288.34 |
Molecular Formula: | C17H18F2N2 |
Canonical SMILES: | C1CN(CCN1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2 |
InChI Key: | TTXIFFYPVGWLSE-UHFFFAOYSA-N |
Boiling Point: | 140 °C (0.007501 torr) |
Melting Point: | 89-92 °C |
Purity: | 97 % |
Density: | 1.181 g/cm3 |
Appearance: | White to yellow crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00038660 |
LogP: | 3.22610 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112300094-A | Substituted benzoyl piperazine compounds and application thereof in preparation of anti-chikungunya virus medicines | 20201124 |
CN-111592479-A | Aloe-emodin nitrogen heterocyclic derivative and preparation method and application thereof | 20200529 |
CN-111592479-B | Aloe-emodin nitrogen heterocyclic derivative and preparation method and application thereof | 20200529 |
WO-2021133748-A1 | Substituted quinolinonyl piperazine compounds useful as t cell activators | 20191223 |
WO-2021127554-A1 | Combinations of dgk inhibitors and checkpoint antagonists | 20191219 |
PMID | Publication Date | Title | Journal |
22969687 | 20120901 | 1-[Bis(4-fluoro-phen-yl)meth-yl]piperazine | Acta crystallographica. Section E, Structure reports online |
22589941 | 20120401 | 1-[Bis(4-fluoro-phen-yl)meth-yl]-4-[2-(2-methyl-phen-oxy)eth-yl]piperazine | Acta crystallographica. Section E, Structure reports online |
22590024 | 20120401 | 4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-ium bis-(trichloro-acetate) 0.4-hydrate | Acta crystallographica. Section E, Structure reports online |
22606121 | 20120401 | 4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-ium 2-hy-droxy-benzoate 2-hy-droxy-benzoic acid monosolvate | Acta crystallographica. Section E, Structure reports online |
22408397 | 20120101 | Acute oral toxicity evaluations of some zinc(II) complexes derived from 1-(2-salicylaldiminoethyl)piperazine Schiff bases in rats | International journal of molecular sciences |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.14380491 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.14380491 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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