Butyramide, 2-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate
Basic information
- CAS
93997-93-4- Standard SMILES
Cc1noc(NC(=O)C(C(C)C)[NH+](C)C)c1C.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
KXEKRUBUDWHPCT-UHFFFAOYSA-N- Molecular formula
- C18H24N6O9
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.16047636
Names & identifiers
- Preferred name
- Butyramide, 2-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate
- IUPAC
- [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium;2,4,6-trinitrophenolate
Names & synonyms
93997-93-4BUTYRAMIDE, 2-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-3-METHYL-, PICRATERefChem:10804272-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methylbutyramide picrate
Database identifiers
- CAS
93997-93-4- PubChem CID
- 56722
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 560
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