Pyridin-4-amine 1-oxide
Basic information
- CAS
3535-75-9- Standard SMILES
N=c1ccn(O)cc1- InChIKey
NDMWRWICFFKKDR-UHFFFAOYSA-N- Molecular formula
- C5H6N2O
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.04801282
Names & identifiers
- Preferred name
- Pyridin-4-amine 1-oxide
- IUPAC
- 1-hydroxypyridin-4-imine
- English name
- pyridin-4-amine 1-oxide
- Molecular formula
- C5H6N2O
- Molecular weight
- 110.11
Names & synonyms
4-Aminopyridine 1-oxide3535-75-94-Aminopyridine N-OxidePyridin-4-amine 1-oxide4-Pyridinamine, 1-oxide4-Pyrimidinamine 1-oxideNSC 351983PYRIDINE, 4-AMINO-, 1-OXIDEYY9GNO5VMINSC-351983DTXSID10902506Pyridine, 4-amino-, N-oxide
Show more names
Phillips-1863Dalfampridine N-Oxide4-AMINOPYRIDINE1-OXIDE4-AMINO-N-OXIDEPYRIDINEDalfampridine Impurity 2Pyridine-4-amine 1-oxide
EINECS 222-569-6BRN 0107584RefChem:8705655-22-09-00111 (Beilstein Handbook Reference)DTXCID701330710222-569-61-hydroxypyridin-4-iminePhillips 1863
Database identifiers
- CAS
3535-75-9- PubChem CID
- 19055
- DTXSID
DTXSID10902506- UNII
- YY9GNO5VMI
- EC Number
- 222-569-6
- Nikkaji
- J12.971B、J3.415.248I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 229 °C · 229 °C
- Boiling point
- 206.4 °C · 206.4°C (rough estimate)
- Density
- 1.2111 · 1.2111 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 1 · pK1: 3.54(+1) (25°C)
- color
- White to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 9 GNO5VMI · YY9GNO5VMI
- HS Code
- 2933399090 · 2933399090
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 75 mg/kg TXAPA9 21,315,72
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2933399090
- Toxicity
- LD50 orl-rat: 75 mg/kg TXAPA9 21,315,72
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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