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17791-52-5

Name N-Boc-L-Histidine
CAS 17791-52-5
EINECS(EC#) 241-768-9
Molecular Formula C11H17N3O4
MDL Number MFCD00065576
Molecular Weight 255.27
MOL File 17791-52-5.mol
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Chemical Properties

Appearance WHITE FINE POWDER
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.  -20°C
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 Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
HS Code  29339900

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