N2,N6-ditosyllysine...

N2,N6-ditosyllysine 51866-92-3

N2,N6-ditosyllysine 51866-92-3

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1 Gram

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  • Purity: 98%
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Keywords

L-Lysine,N2,N6-bis[(4-methylphenyl)sulfonyl]- N2,N6-ditosyllysine 51866-92-3

Quick Details

  • Appearance:Liquid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Our company was built in 2009 with an ISO certificate.In the past 5 years, we have grown up as a famous fine chemicals supplier in China and we had established stable business relationships with Samsung,LG,Merck,Thermo Fisher Scientific and so on.Our main business covers the fields below:
 
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Details:

Identification and Related Records
【Name】
L-Lysine,N2,N6-bis[(4-methylphenyl)sulfonyl]-
【CAS Registry number】
51866-92-3
【Synonyms】
NSC53870
【Molecular Formula】
C20H26 N2 O6 S2 (Products with the same molecular formula)
【Molecular Weight】
454.5602
【Inchi】
InChI=1/C20H26N2O6S2/c1-15-6-10-17(11-7-15)29(25,26)21-14-4-3-5-19(20(23)24)22-30(27,28)18-12-8-16(2)9-13-18/h6-13,19,21-22H,3-5,14H2,1-2H3,(H,23,24)
【Canonical SMILES】
CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C
Chemical and Physical Properties
【Density】
1.317g/cm3
【Boiling Point】
668.6°Cat760mmHg
【Refractive Index】
1.581
【Flash Point】
358.2°C
【Computed Properties】
Molecular Weight:454.56024 [g/mol]
Molecular Formula:C20H26N2O6S2
XLogP3-AA:3
H-Bond Donor:3
H-Bond Acceptor:8
Rotatable Bond Count:11
Exact Mass:454.123228
MonoIsotopic Mass:454.123228
Topological Polar Surface Area:146
Heavy Atom Count:30
Formal Charge:0
Complexity:741
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:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:11
Conformer Sampling RMSD:1.2
CID Conformer Count:336

 

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