Pyridine-4-carboxamidoxime N-oxide
Basic information
- CAS
66168-50-1- Standard SMILES
N/C(=N/O)c1cc[n+]([O-])cc1- InChIKey
MBWVMSCELRFKRC-UHFFFAOYSA-N- Molecular formula
- C6H7N3O2
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.05382648
Names & identifiers
- Preferred name
- Pyridine-4-carboxamidoxime N-oxide
- IUPAC
- N'-hydroxy-1-oxidopyridin-1-ium-4-carboximidamide
- English name
- N-Hydroxy-1-oxy-isonicorinamidine
- Molecular formula
- C6H7N3O2
- Molecular weight
- 153.14
Names & synonyms
N-Hydroxy-1-oxy-isonicotinamidine66168-50-1Pyridine-4-carboxamidoxime N-oxideMFCD00206512AKOS037643706AS-31766pyridine-4-amideoxime N-oxyPyridine-4-carboxamide N-oxideN-Hydroxy-1-oxy-isonicorinamidinePyridine-4-carboxamidoximeN-oxide,97%Pyridine-4-carboxaMidoxiMe N-oxide, 97%4-Pyridinecarboximidamide, N-hydroxy-, 1-oxide
Show more names
(1-hydroxypyridin-4-ylidene)-nitrosomethanamine
Database identifiers
- CAS
66168-50-1- PubChem CID
- 136269643
- EC Number
- 676-769-7
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 258 · 258-260 °C(Solvent: Water)
- Boiling point
- 424.88 · 424.880±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.426 · 1.426±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- RTECS
- 4315000 · TJ4315000
- pka
- 13.643 · 13.643±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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