3106-85-2

Name N-acetyl aspartyl-glutaMic acid
CAS 3106-85-2
EINECS(EC#) 628-471-3
Molecular Formula C11H16N2O8
MDL Number MFCD00076652
Molecular Weight 304.25
MOL File 3106-85-2.mol
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Chemical Properties

Melting point  171-173 °C
Boiling point  769.5±60.0 °C(Predicted)
density  1.472±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  H2O: 50 mg/mL
form  powder
pka 3.04±0.10(Predicted)
color  white
Optical Rotation [α]22/D 34.5°, c = 1.1 in H2O(lit.)
Water Solubility  Soluble to 100 mM in water
Stability: Hygroscopic
InChI 1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)
InChIKey OPVPGKGADVGKTG-UHFFFAOYSA-N
SMILES CC(=O)NC(CC(O)=O)C(=O)NC(CCC(O)=O)C(O)=O

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  29241990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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