Basic information
- CAS
61161-47-5- Standard SMILES
Cc1cc(N(C(=N)N)C(=N)N)no1.Cl- InChIKey
GBFIOFGVSLFZRJ-UHFFFAOYSA-N- Molecular formula
- C6H11ClN6O
- Average molar mass
- 218.64 g/mol
- Monoisotopic mass
- 218.0682867
Names & identifiers
- Preferred name
- Imidodicarbonimidic diamide, N-(5-methyl-3-isoxazolyl)-, monohydrochloride
- IUPAC
- 1-carbamimidoyl-1-(5-methyl-1,2-oxazol-3-yl)guanidine;hydrochloride
Names & synonyms
Imidodicarbonimidic diamide, N-(5-methyl-3-isoxazolyl)-, monohydrochloride(5-Methyl-isoxazol-3-yl)biguanide hydrochlorideN-(5-Methyl-3-isoxazolyl)imidodicarbonimidic diamide monohydrochloride61161-47-5DTXSID90210055RefChem:349010DTXCID90132546N-(5-Methyl-1,2-oxazol-3-yl)triimidodicarbonic diamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61161-47-5- PubChem CID
- 3045803
- DTXSID
DTXSID90210055
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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