delta(sup 4)-1,2,4-Oxadiazoline, 5-((isopropylmethylamino)methyl)-3-phenyl-, hydrochloride
Basic information
- CAS
102504-41-6- Standard SMILES
CC(C)[NH+](C)CC1=CN(c2ccccc2)NO1.[Cl-]- InChIKey
UYTLRTZMGDMJAO-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.12949
Names & identifiers
- Preferred name
- delta(sup 4)-1,2,4-Oxadiazoline, 5-((isopropylmethylamino)methyl)-3-phenyl-, hydrochloride
- IUPAC
- methyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-ylazanium chloride
- English name
- methyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-yl-azanium chlori de
- Molecular formula
- C13H20ClN3O
- Molecular weight
- 0
Names & synonyms
102504-41-6delta(sup 4)-1,2,4-Oxadiazoline, 5-((isopropylmethylamino)methyl)-3-phenyl-, hydrochlorideRefChem:1083111methyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-ylazanium;chloride5-((Isopropylmethylamino)methyl)-3-phenyl-delta(sup 4)-1,2,4-oxadiazole hydrochlorideDTXSID401384720methyl-[(3-phenyl-2~{H}-oxadiazol-5-yl)methyl]-propan-2-ylazaniummethyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-yl-azanium chlori de
Database identifiers
- CAS
102504-41-6- PubChem CID
- 59416
- DTXSID
DTXSID401384720
Properties
Computed structural properties
- Topological polar surface area
- 28.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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