delta(sup 4)-1,2,4-Oxadiazoline, 5-((butylamino)methyl)-3-phenyl-, hydrochloride
Basic information
- CAS
102504-33-6- Standard SMILES
CCCCNCC1=NN(c2ccccc2)CO1.[Cl-]- InChIKey
PITXPFQIZGFWFI-UHFFFAOYSA-M- Molecular formula
- C13H19ClN3O-
- Average molar mass
- 268.76 g/mol
- Monoisotopic mass
- 268.1216649
Names & identifiers
- Preferred name
- delta(sup 4)-1,2,4-Oxadiazoline, 5-((butylamino)methyl)-3-phenyl-, hydrochloride
- IUPAC
- N-[(3-phenyl-2H-1,3,4-oxadiazol-5-yl)methyl]butan-1-amine chloride
Names & synonyms
102504-33-6delta(sup 4)-1,2,4-OXADIAZOLINE, 5-((BUTYLAMINO)METHYL)-3-PHENYL-, HYDROCHLORIDERefChem:10831095-((Butylamino)methyl)-3-phenyl-delta(sup 4)-1,2,4-oxadiazoline hydrochloride
Database identifiers
- CAS
102504-33-6- PubChem CID
- 59400
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- -1
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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