Neotame
Bezeichnung:Neotame
CAS-Nr165450-17-9
Englisch Name:Neotame
CBNumberCB7500392
SummenformelC20H30N2O5
Molgewicht378.46
MOL-Datei165450-17-9.mol
Neotame physikalisch-chemischer Eigenschaften
Schmelzpunkt | 83-85°C |
alpha | D -54.84° (c = 1 in methanol); D20 -39.8° (c = 0.5 in water) |
Siedepunkt | 565.3±50.0 °C(Predicted) |
Dichte | 1.133±0.06 g/cm3(Predicted) |
storage temp. | Keep in dark place,Sealed in dry,2-8°C |
Löslichkeit | Chloroform (Sparingly), Ethanol (Sparingly), Ethyl Acetate (Sparingly), Methanol |
pka | pKa1 3.01; pKa2 8.02(at 25℃) |
Aggregatzustand | Solid |
Farbe | White to Off-White |
Optische Aktivität | [α]/D -41.0±3.0°, c = 0.5 in H2O |
BRN | 8352678 |
Stabilität | Hygroscopic |
InChI | InChI=1/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/s3 |
InChIKey | HLIAVLHNDJUHFG-HOTGVXAUSA-N |
SMILES | C(=O)([C@@H](NCCC(C)(C)C)CC(O)=O)N[C@@H](CC1=CC=CC=C1)C(OC)=O |&1:2,15,r| |
LogP | 3.834 (est) |
S-Sätze: | 24/25 |
WGK Germany | 3 |
HS Code | 29242990 |
Giftige Stoffe Daten | 165450-17-9(Hazardous Substances Data) |