Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate
Basic information
- CAS
72041-85-1- Standard SMILES
Cc1cc(N=C([NH2+]c2nccs2)[NH2+]C(C)(C)C)ccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-]- InChIKey
AFWGINWQLXVKHP-UHFFFAOYSA-P- Molecular formula
- C14H21N7O6S
- Average molar mass
- 415.43 g/mol
- Monoisotopic mass
- 415.12740259
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate
- IUPAC
- tert-butyl-[N-(2-methyl-4-pyridinyl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate
Names & synonyms
72041-85-11-tert-Butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)guanidine dinitrateGUANIDINE, 1-tert-BUTYL-2-(2-METHYL-4-PYRIDYL)-3-(2-THIAZOLYL)-, DINITRATERefChem:346906
Database identifiers
- CAS
72041-85-1- PubChem CID
- 51523
Properties
Computed structural properties
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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