Biguanide, 1-(p-methoxyphenyl)-, dihydriodide
Basic information
- CAS
73728-75-3- Standard SMILES
COc1ccc([NH+]=C(N)[NH+]=C(N)N)cc1.[I-].[I-]- InChIKey
QYKRHYDIYPEMJR-UHFFFAOYSA-N- Molecular formula
- C9H15I2N5O
- Average molar mass
- 463.06 g/mol
- Monoisotopic mass
- 462.93661
Names & identifiers
- Preferred name
- Biguanide, 1-(p-methoxyphenyl)-, dihydriodide
- IUPAC
- [amino(diaminomethylideneazaniumyl)methylidene]-(4-methoxyphenyl)azanium diiodide
Names & synonyms
p-Methoxyphenylbiguanide dihydroiodideNSC 221257BIGUANIDE, 1-(p-METHOXYPHENYL)-, DIHYDRIODIDE73728-75-3Imidodicarbonimidic diamide, N-(4-methoxyphenyl)-, dihydriodideRefChem:329456Imidodicarbonimidic diamide, N-(4-methoxyphenyl)-, dihydriodide (9CI)
Database identifiers
- CAS
73728-75-3- PubChem CID
- 52329
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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