Basic information
- CAS
94440-39-8- Standard SMILES
CCC(C(=O)Nc1onc(C)c1C)[NH+](CC)CC.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
LBQHGLQHTVWQDA-UHFFFAOYSA-N- Molecular formula
- C19H26N6O9
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 482.17612643
Names & identifiers
- Preferred name
- Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-, picrate
- IUPAC
- [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-1-oxobutan-2-yl]-diethylazanium;2,4,6-trinitrophenolate
Names & synonyms
94440-39-8BUTYRAMIDE, 2-(DIETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-, PICRATERefChem:10804222-(Diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)butyramide picrate[1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-1-oxobutan-2-yl]-diethylazanium;2,4,6-trinitrophenolate
Database identifiers
- CAS
94440-39-8- PubChem CID
- 56763
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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