1,4-Butanedione,2-(...

1,4-Butanedione,2-(diethylamino)-1,4-diphenyl-, hydrochloride (9CI) 5437-18-3

1,4-Butanedione,2-(diethylamino)-1,4-diphenyl-, hydrochloride (9CI) 5437-18-3

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  • Purity: 99%
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1,4-Butanedione,2-(diethylamino)-1,4-diphenyl-, hydrochloride (9CI) 5437-18-3 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
1,4-Butanedione,2-(diethylamino)-1,4-diphenyl-, hydrochloride (9CI)
【Iupac name】
2-(diethylamino)-1,4-diphenylbutane-1,4-dione hydrochloride
【CAS Registry number】
5437-18-3
【Synonyms】
NSC 5481
【Molecular Formula】
C20H23 N O2 . Cl H (Products with the same molecular formula)
【Molecular Weight】
309.4021
【Inchi】
InChI=1/C20H23NO2/c1-3-21(4-2)18(20(23)17-13-9-6-10-14-17)15-19(22)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3
【Canonical SMILES】
CCN(CC)C(CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl
Chemical and Physical Properties
【Density】
1.077g/cm3
【Boiling Point】
460.3°C at 760 mmHg
【Refractive Index】
1.559
【Flash Point】
192.3°C
【Computed Properties】
Molecular Weight:345.86306 [g/mol]
Molecular Formula:C20H24ClNO2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:8
Tautomer Count:4
Exact Mass:345.149557
MonoIsotopic Mass:345.149557
Topological Polar Surface Area:37.4
Heavy Atom Count:24
Formal Charge:0
Complexity:377
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

 

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