40851-66-9

Name 2-(Boc-aminomethyl)phenylacetic acid
CAS 40851-66-9
EINECS(EC#) 637-014-7
Molecular Formula C14H19NO4
MDL Number MFCD06656428
Molecular Weight 265.3
MOL File 40851-66-9.mol
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Chemical Properties

Boiling point  435.2±33.0 °C(Predicted)
density  1.163±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
pka 4.26±0.10(Predicted)
Appearance White to off-white Solid
BRN  1080474
Major Application peptide synthesis
InChI 1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey CGPQRFCFBISLKF-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)NCc1ccccc1CC(O)=O
CAS DataBase Reference 40851-66-9(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36:Irritating to the eyes.
Safety Statements 
S36:Wear suitable protective clothing .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29225090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2

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