100564-78-1

Name Boc-L-homophenylalanine
CAS 100564-78-1
Molecular Formula C15H21NO4
MDL Number MFCD00076904
Molecular Weight 279.33
MOL File 100564-78-1.mol
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Chemical Properties

Melting point  76-80 °C
Boiling point  439.6±38.0 °C(Predicted)
density  1.139
storage temp.  2-8°C
solubility  Soluble in methanol.
form  powder to crystal
pka 3.95±0.10(Predicted)
color  White to Almost white
Optical Rotation [α]20/D +6.5±1°, c = 2% in ethanol
BRN  3653506
Major Application peptide synthesis
InChI InChI=1/C15H21NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/s3
InChIKey MCODLPJUFHPVQP-LBPRGKRZSA-N
SMILES [C@@H](C(=O)O)(CCC1=CC=CC=C1)NC(=O)OC(C)(C)C |&1:0,r|
CAS DataBase Reference 100564-78-1(CAS DataBase Reference)

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes  Xi
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
F  3-10
HazardClass  IRRITANT
HS Code  29242990
Storage Class 11 - Combustible Solids

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