Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate
Basic information
- CAS
93438-34-7- Standard SMILES
CC[NH+](CC)CC(=O)Nc1onc(C)c1C.O=[N+]([O-])C1CC([N+](=O)[O-])C([O-])C([N+](=O)[O-])C1- InChIKey
WNCZTMYJKJMUNN-UHFFFAOYSA-O- Molecular formula
- C17H28N6O9
- Average molar mass
- 460.4 g/mol
- Monoisotopic mass
- 460.19177649
Names & identifiers
- Preferred name
- Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate
- IUPAC
- [2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-diethylazanium;2,4,6-trinitrocyclohexan-1-olate
Names & synonyms
ISOXAZOLE, 5-(2-(DIETHYLAMINO)ACETAMIDO)-3,4-DIMETHYL-, PICRATE93438-34-7RefChem:10878635-(2-(Diethylamino)acetamido)-3,4-dimethylisoxazole picrate
Database identifiers
- CAS
93438-34-7- PubChem CID
- 56635
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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