2,5-bis[(diethylami...

2,5-bis[(diethylamino)methyl]benzene-1,4-diol 5424-68-0

2,5-bis[(diethylamino)methyl]benzene-1,4-diol 5424-68-0

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  • Min.Order :1 Gram
  • Purity: 99%
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2,5-bis(diethylaminomethyl)benzene-1,4-diol 5424-68-0 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
2,5-bis[(diethylamino)methyl]benzene-1,4-diol
【Iupac name】
2,5-bis(diethylaminomethyl)benzene-1,4-diol
【CAS Registry number】
5424-68-0
【Synonyms】
1,4-benzenediol, 2,5-bis[(diethylamino)methyl]-
2,5-Bis[(diethylamino)methyl]benzene-1,4-diol
【Molecular Formula】
C16H28N2O2 (Products with the same molecular formula)
【Molecular Weight】
280.4057
【Inchi】
InChI=1/C16H28N2O2/c1-5-17(6-2)11-13-9-16(20)14(10-15(13)19)12-18(7-3)8-4/h9-10,19-20H,5-8,11-12H2,1-4H3
【Canonical SMILES】
CCN(CC)CC1=CC(=C(C=C1O)CN(CC)CC)O
【MOL File】
5424-68-0.mol
Chemical and Physical Properties
【Density】
1.056g/cm3
【Boiling Point】
397.2°C at 760 mmHg
【Refractive Index】
1.548
【Flash Point】
175.3°C
【Computed Properties】
Molecular Weight:280.40572 [g/mol]
Molecular Formula:C16H28N2O2
XLogP3-AA:2.3
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:8
Tautomer Count:4
Exact Mass:280.215078
MonoIsotopic Mass:280.215078
Topological Polar Surface Area:46.9
Heavy Atom Count:20
Formal Charge:0
Complexity:229
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:1
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:112

 

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