Butyramide, 2-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-, picrate
Basic information
- CAS
93438-33-6- Standard SMILES
CCC(C(=O)Nc1onc(C)c1C)[NH+](C)C.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
CYOJVOYCZNNDGT-UHFFFAOYSA-N- Molecular formula
- C17H22N6O9
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 454.1448263
Names & identifiers
- Preferred name
- Butyramide, 2-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-, picrate
- IUPAC
- [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-1-oxobutan-2-yl]-dimethylazanium;2,4,6-trinitrophenolate
Names & synonyms
93438-33-6BUTYRAMIDE, 2-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-, PICRATERefChem:10804262-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)butyramide picrate
Database identifiers
- CAS
93438-33-6- PubChem CID
- 56633
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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