Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
RYKRJHDKCQSOBF-UHFFFAOYSA-N- Molecular formula
- C13H18N4O6
- Average molar mass
- 326.31 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(3,5-dinitropyridin-2-yl)aminobutanoate
- IUPAC
- tert-butyl 4-[(3,5-dinitro-2-pyridinyl)amino]butanoate
Names & synonyms
SCHEMBL1092700RYKRJHDKCQSOBF-UHFFFAOYSA-Ntert-Butyl 4-(3,5-dinitropyridin-2-yl)aminobutanoate
Database identifiers
- PubChem CID
- 86643266
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
Related reactions
3 records
Compound notes
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