3-Pyridinecarboxamide, N-[2-(nitrooxy)ethyl]-


Chemical Name: 3-Pyridinecarboxamide, N-[2-(nitrooxy)ethyl]-
CAS Number: 65141-46-0
Product Number: AG003T3N(AGN-PC-050KZZ)
Synonyms:
MDL No:
Molecular Formula: C8H9N3O4
Molecular Weight: 211.1748

Identification/Properties


Properties
MP:
92°C
BP:
456.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.7400 (estimate)
Solubility:
DMSO: >10mg/mL
Computed Properties
Molecular Weight:
211.177g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
211.059g/mol
Monoisotopic Mass:
211.059g/mol
Topological Polar Surface Area:
97A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
228
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1759
Hazard Statements:
H302-H318
Precautionary Statements:
P280-P301+P312+P330-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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