3-(1,2,4-Oxadiazol-5-yl)aniline
Basic information
- CAS
158944-57-1- Standard SMILES
Nc1cccc(-c2ncno2)c1- InChIKey
BRVLOGROXUQTIH-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- 3-(1,2,4-Oxadiazol-5-yl)aniline
- IUPAC
- 3-(1,2,4-oxadiazol-5-yl)aniline
Names & synonyms
3-(1,2,4-oxadiazol-5-yl)aniline158944-57-1RefChem:489210870-136-03-(1,2,4-oxadiazol-5-yl)phenyl amineSCHEMBL9315443BRVLOGROXUQTIH-UHFFFAOYSA-NEN300-3010737Z760031306
Database identifiers
- CAS
158944-57-1- PubChem CID
- 18950776
- EC Number
- 870-136-0
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
1 records
Compound notes
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