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N-Boc-L-Histidine Structure

N-Boc-L-Histidine

Chemical Properties

Melting point 195 °C (dec.)(lit.)
alpha  25.5 º (C=1, MEOH 25 ºC)
Boiling point 398.5°C (rough estimate)
Density  1.2235 (rough estimate)
refractive index  26 ° (C=1, MeOH)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Sparingly, Heated)
form  Powder, Crystals and/or Chunks
pka 3.56±0.10(Predicted)
color  White to off-white
optical activity [α]20/D +26°, c = 1 in methanol
BRN  755289
InChI InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m0/s1
InChIKey AYMLQYFMYHISQO-QMMMGPOBSA-N
SMILES C(O)(=O)[C@H](CC1N=CNC=1)NC(OC(C)(C)C)=O
CAS DataBase Reference 17791-52-5(CAS DataBase Reference)

Safety Information

Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  24/25-36-26
WGK Germany  3
HS Code  29339900

MSDS

Usage And Synthesis

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