Basic information
- CAS
158190-67-1- Standard SMILES
CC(Cc1ccccc1)[n+]1cc(N)on1- InChIKey
UDUSHLMWUKFPIU-UHFFFAOYSA-N- Molecular formula
- C11H14N3O+
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.11368708
Names & identifiers
- Preferred name
- 5-Amino-3-(1-methyl-2-phenylethyl)-1,2,3-oxadiazolium
- IUPAC
- 3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-amine
Names & synonyms
ChemDiv3_000135DTXSID301356982HMS1473G03AKOS001582847CCG-103052IDI1_019453NCGC00178687-01EU-00667165-Amino-3-(1-methyl-2-phenylethyl)-1,2,3-oxadiazolium158190-67-1
Database identifiers
- CAS
158190-67-1- PubChem CID
- 72089
- DTXSID
DTXSID301356982
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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