(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
Basic information
- CAS
16965-06-3- Standard SMILES
CC(C)(C)OC(=O)NC(CCCCNC(=O)C(F)(F)F)C(=O)O- InChIKey
DEIYNDIFGSDDCY-UHFFFAOYSA-N- Molecular formula
- C13H21F3N2O5
- Average molar mass
- 342.31 g/mol
- Monoisotopic mass
- 342.14025626
Names & identifiers
- Preferred name
- (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
- English name
- Boc-Lys(TFA)-OH
- Molecular formula
- C13H21F3N2O5
- Molecular weight
- 342.31
Names & synonyms
N~2~-(tert-butoxycarbonyl)-N~6~-(trifluoroacetyl)lysine(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acidNSC164662SCHEMBL1603620DEIYNDIFGSDDCY-UHFFFAOYSA-NNa-Boc-Ne-trifluoroacetyl-D-lysineNa-Boc-Ne-trifluoroacetyl-L-lysine2-{[(tert-butoxy)carbonyl]amino}-6-(trifluoroacetamido)hexanoic acidBBL005113MFCD01883044STK0142522-{[(tert-butoxy)carbonyl]amino}-6-(2,2,2-trifluoroacetamido)hexanoic acid
Show more names
NSC 164662Boc-Lys(TFA)-OHBOC-L-LYS(TFA)-OHBOC-LYSINE(TFA)-OHBOC-N-E-TFA-L-LYSINEBOC-LYS(TFA)-OH USP/EP/BPN-ALPHA-T-BOC-NE-TFA-L-LYSBOC-N-EPSILON-TFA-L-LYSINEBoc-(Trifluoroacetyl) Lysine(Tert-Butoxy)Carbonyl Lys(Tfa)-OH
AKOS005377353NSC-164662(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acidVS-01556ST50411851N-alpha-Boc-Nepsilon-trifluoroacetyl-D-lysineN-alpha-Boc-Nepsilon-trifluoroacetyl-L-lysine
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 102 · 102-105 °C
- Boiling point
- 485.6 · 485.6±45.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Soluble in DMSO.
- form
- Powder
- pka
- 3.97 · 3.97±0.21(Predicted)
- color
- White
- optical activity
- -12.72 ° · -12.72°(C=0.87g/100mI, DMF, 20°C, 589nm)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 301 · P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H314
- Precautionary statements
- P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
Chemistry & industry
Applications
UsesBoc-Lys(Tfa)-OH (cas# 16965-06-3) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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