117445-22-4

Name Boc-3-Aminomethylbenzoic acid
CAS 117445-22-4
EINECS(EC#) 820-537-1
Molecular Formula C13H17NO4
MDL Number MFCD00273426
Molecular Weight 251.28
MOL File 117445-22-4.mol

Chemical Properties

Boiling point  434.6±38.0 °C(Predicted)
density  1.178±0.06 g/cm3(Predicted)
storage temp.  Store at 0°C
form  Crystalline Powder or Flakes
pka 4.21±0.10(Predicted)
color  White to off-white
BRN  6957774
Major Application peptide synthesis
InChI 1S/C13H17NO4/c1-13(2,3)18-12(17)14-8-9-5-4-6-10(7-9)11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey MQNHKLMHRZYTBZ-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)NCc1cccc(c1)C(O)=O
CAS DataBase Reference 117445-22-4(CAS DataBase Reference)

Safety Data

Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  29242990
Storage Class 11 - Combustible Solids

Hazard Information

Well-known Reagent Company Product Information

Supplier