Product Name

  • Name

    BOC-LYS(TFA)-OH

  • EINECS
  • CAS No. 16965-06-3
  • Article Data5
  • CAS DataBase
  • Density 1.255 g/cm3
  • Solubility
  • Melting Point 102-105 °C
  • Formula C13H21F3N2O5
  • Boiling Point 485.585 °C at 760 mmHg
  • Molecular Weight 342.315
  • Flash Point 247.473 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 16965-06-3 (BOC-LYS(TFA)-OH)
  • Hazard Symbols
  • Synonyms L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-(trifluoroacetyl)- (9CI);Lysine, N2-carboxy-N6-(trifluoroacetyl)-,N2-tert-butyl ester, L- (8CI);(S)-6-(Trifluoroacetylamino)-2-(tert-butoxycarbonylamino)hexanoic acid;NSC164662;
  • PSA 104.73000
  • LogP 2.59490

N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N6-(trifluoroacetyl)-L-lysine Specification

The L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)-, with the CAS registry number 16965-06-3, is also known as (S)-6-(Trifluoroacetylamino)-2-(tert-butoxycarbonylamino)hexanoic acid. It belongs to the product categories of Aminoacids Derivatives and Amino Acids. This chemical's molecular formula is C13H21F3N2O5 and molecular weight is 342.31. What's more, its IUPAC name is 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid and systematic name is called N2-(tert-Butoxycarbonyl)-N6-(trifluoroacetyl)-L-lysine.

Physical properties about L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-(2,2,2-trifluoroacetyl)- are: (1) ACD/LogP: 1.56; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.4; (4) ACD/LogD (pH 7.4): -1.94; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1.84; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 7; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 76.15 Å2; (13) Index of Refraction: 1.449; (14) Molar Refractivity: 73.21 cm3; (15) Molar Volume: 272.7 cm3; (16) Surface Tension: 37 dyne/cm; (17) Density: 1.254 g/cm3; (18) Flash Point: 247.5 °C; (19) Enthalpy of Vaporization: 82.26 kJ/mol; (20) Boiling Point: 485.6 °C at 760 mmHg; (21) Vapour Pressure: 9.25E-11 mmHg at 25 °C; (22) Melting Point: 102-105 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCCNC(=O)C(F)(F)F
(2) InChI: InChI=1/C13H21F3N2O5/c1-12(2,3)23-11(22)18-8(9(19)20)6-4-5-7-17-10(21)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t8-/m0/s1
(3) InChIKey: DEIYNDIFGSDDCY-QMMMGPOBBU

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View