Basic information
- CAS
71079-87-3- Standard SMILES
CCOc1cc(NC(=[NH+]C(C)(C)C)[NH2+]c2nccs2)c2ccccc2n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-]- InChIKey
KDTRKDCBBZZICU-UHFFFAOYSA-P- Molecular formula
- C19H25N7O7S
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.15361734
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
- IUPAC
- tert-butyl-[[(2-ethoxyquinolin-4-yl)amino]-(1,3-thiazol-2-ylazaniumyl)methylidene]azanium dinitrate
Names & synonyms
1-tert-Butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate71079-87-3GUANIDINE, 1-tert-BUTYL-2-(2-ETHOXY-4-QUINOLYL)-3-(2-THIAZOLYL)-, DINITRATERefChem:346904
Database identifiers
- CAS
71079-87-3- PubChem CID
- 51243
Properties
Computed structural properties
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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