1,4-diphenyl-2-(pip...

1,4-diphenyl-2-(piperidin-1-yl)but-2-ene-1,4-dione(CAS No. 5468-69-9)

1,4-diphenyl-2-(piperidin-1-yl)but-2-ene-1,4-dione(CAS No. 5468-69-9)

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1,4-diphenyl-2-(1-piperidyl)but-2-ene-1,4-dione 5468-69-9 98%

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  • Appearance:Solid
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Details:

【Name】
1,4-diphenyl-2-(piperidin-1-yl)but-2-ene-1,4-dione
【Iupac name】
1,4-diphenyl-2-piperidin-1-ylbut-2-ene-1,4-dione
【CAS Registry number】
5468-69-9
【Synonyms】
1,4-diphenyl-2-piperidin-1-ylbut-2-ene-1,4-dione
AC1L5E3E
5468-69-9
【Molecular Formula】
C21H21NO2 (Products with the same molecular formula)
【Molecular Weight】
319.3969
【Inchi】
InChI=1/C21H21NO2/c23-20(17-10-4-1-5-11-17)16-19(22-14-8-3-9-15-22)21(24)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2
【Canonical SMILES】
C1CCN(CC1)C(=CC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
【MOL File】
5468-69-9.mol
Chemical and Physical Properties
【Density】
1.153g/cm3
【Boiling Point】
462°C at 760 mmHg
【Refractive Index】
1.601
【Flash Point】
193.9°C
【Computed Properties】
Molecular Weight:319.39694 [g/mol]
Molecular Formula:C21H21NO2
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:319.157229
MonoIsotopic Mass:319.157229
Topological Polar Surface Area:37.4
Heavy Atom Count:24
Formal Charge:0
Complexity:464
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:6.2
Conformer Sampling RMSD:0.8
CID Conformer Count:70

 

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