Melting point |
63-65°C |
Boiling point |
346.25°C (rough estimate) |
Density |
1.1933 (rough estimate) |
refractive index |
1.4830 (estimate) |
Flash point |
9℃ |
storage temp. |
Amber Vial, -20°C Freezer |
solubility |
DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml, |
pka |
3.19±0.10(Predicted) |
form |
Solid |
color |
White to light yellow |
BRN |
3548355 |
Stability |
Stable. Incompatible with strong oxidizing agents. |
InChI |
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3 |
InChIKey |
FLAQQSHRLBFIEZ-UHFFFAOYSA-N |
SMILES |
C(C1=CC=CN=C1)(=O)CCCN(C)N=O |
CAS DataBase Reference |
64091-91-4 |
IARC |
1 (Vol. Sup 7, 89, 100E) 2012 |
EPA Substance Registry System |
4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (64091-91-4) |