2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethylamine p-toluenesulfonate
Basic information
- CAS
147216-22-6- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cc1noc(CCN)n1- InChIKey
FQAUSBWEJRBOSF-UHFFFAOYSA-N- Molecular formula
- C12H17N3O4S
- Average molar mass
- 299.35 g/mol
- Monoisotopic mass
- 299.09397721
Names & identifiers
- Preferred name
- 2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethylamine p-toluenesulfonate
- IUPAC
- 4-methylbenzenesulfonic acid;2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
Names & synonyms
SCHEMBL9041253FQAUSBWEJRBOSF-UHFFFAOYSA-N2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamine p-toluenesulfonate
Database identifiers
- CAS
147216-22-6- PubChem CID
- 18992007
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
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Related reactions
1 records
Compound notes
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