5-(2-Phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
Basic information
- CAS
1016764-91-2- Standard SMILES
CC(C)(c1ccccc1)c1nnc(N)o1- InChIKey
ISEONSGTBRHUOO-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.10586205
Names & identifiers
- Preferred name
- 5-(2-Phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
- English name
- 5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
- Molecular formula
- C11H13N3O
- Molecular weight
- 203.24
Names & synonyms
5-(2-PHENYLPROPAN-2-YL)-1,3,4-OXADIAZOL-2-AMINE1016764-91-2RefChem:529628981-579-55-(1-methyl-1-phenylethyl)-1,3,4-oxadiazol-2-amineRQB76491AKOS000153768EN300-72559G56531Z2852339701,3,4-Oxadiazol-2-amine, 5-(1-methyl-1-phenylethyl)-
Database identifiers
- CAS
1016764-91-2- PubChem CID
- 20113403
- EC Number
- 981-579-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
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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