Basic information
- CAS
261349-38-6- Standard SMILES
CC(C)(C)c1nnc(-c2cccc(N)c2)o1- InChIKey
KZVYJIALRIHGLZ-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.12151211
Names & identifiers
- Preferred name
- 3-(5-Tert-butyl-1,3,4-oxadiazol-2-yl)aniline
- IUPAC
- 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)aniline
- English name
- 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)aniline
- Molecular formula
- C12H15N3O
- Molecular weight
- 217.267
Names & synonyms
261349-38-63-(5-tert-butyl-1,3,4-oxadiazol-2-yl)anilineRefChem:493846868-558-53-(5-(tert-Butyl)-1,3,4-oxadiazol-2-yl)anilineMFCD01934715SCHEMBL4459794STK520552AKOS005458098CS-0260099EN300-7454933-(5-tert-Butyl-[1,3,4]oxadiazol-2-yl)-phenylamine
Database identifiers
- CAS
261349-38-6- PubChem CID
- 29263175
- EC Number
- 868-558-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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