Basic information
- CAS
1087792-45-7- Standard SMILES
ON=Cc1cccc(OCc2ccncc2)c1- InChIKey
QJAUVMPFIUMOLH-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- 3-(4-Pyridinylmethoxy)benzaldehyde oxime
- IUPAC
- N-[[3-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
Names & synonyms
1087792-45-7DTXSID4012750803-(4-Pyridinylmethoxy)benzaldehyde oximeRefChem:493403DTXCID6017056273-(pyridin-4-ylmethoxy)benzaldehyde oximeN-{[3-(pyridin-4-ylmethoxy)phenyl]methylidene}hydroxylamineN-[[3-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamineG24624
Database identifiers
- CAS
1087792-45-7- PubChem CID
- 57368917
- DTXSID
DTXSID401275080- EC Number
- 101-511-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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