Guanidine, 1-pentyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
Basic information
- CAS
72041-98-6- Standard SMILES
CCCCC[NH+](C(N)=[NH+]c1cc(C)nc2ccccc12)c1nccs1.O=[N+]([O-])[O-].O=[N+]([O-])[O-]- InChIKey
QRMCPTKRNAEXEW-UHFFFAOYSA-P- Molecular formula
- C19H25N7O6S
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.15870272
Names & identifiers
- Preferred name
- Guanidine, 1-pentyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
- IUPAC
- [amino-(2-methylquinolin-4-yl)azaniumylidenemethyl]-pentyl-(1,3-thiazol-2-yl)azanium dinitrate
Names & synonyms
72041-98-6GUANIDINE, 1-PENTYL-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)-, DINITRATERefChem:10862431-Pentyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate
Database identifiers
- CAS
72041-98-6- PubChem CID
- 51525
Properties
Computed structural properties
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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