| Melting point |
249-252°C |
| Boiling point |
661.4±65.0 °C(Predicted) |
| Density |
1.81±0.1 g/cm3(Predicted) |
| storage temp. |
-20°C |
| solubility |
DMSO (Slightly), Methanol (Sparingly) |
| pka |
14.22±0.60(Predicted) |
| form |
powder |
| color |
white to beige |
| optical activity |
[α]/D +25 to +40°, c = 0.2 in H2O |
| Water Solubility |
H2O: 0.5mg/mL, clear (warmed) |
| Henry's Law Constant |
6.2×1015 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stability |
Hygroscopic |
| InChI |
InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1 |
| InChIKey |
QDGZDCVAUDNJFG-FXQIFTODSA-N |
| SMILES |
N1C2=C(N=C(N)NC2=O)N([C@H]2C[C@H](O)[C@@H](CO)C2=C)C=1 |
| CAS DataBase Reference |
142217-69-4(CAS DataBase Reference) |
