Basic information
- CAS
92876-63-6- Standard SMILES
C[N+](C)(C)CCOCCC[NH+]=C(N)N.[I-].[I-]- InChIKey
MKBUCRCXFFKDQL-UHFFFAOYSA-M- Molecular formula
- C9H24I2N4O
- Average molar mass
- 458.12 g/mol
- Monoisotopic mass
- 458.00396
Names & identifiers
- Preferred name
- 2-(3-Carbamimidamidopropoxy)-N,N,N-trimethylethan-1-aminium iodide--hydrogen iodide (1/1/1)
- IUPAC
- 2-[3-(diaminomethylideneazaniumyl)propoxy]ethyl-trimethylazanium diiodide
Names & synonyms
92876-63-6DTXSID209189162-(3-Carbamimidamidopropoxy)-N,N,N-trimethylethan-1-aminium iodide--hydrogen iodide (1/1/1)RefChem:1061062DTXCID601347857(2-(3-Guanidinopropoxy)ethyl)trimethylammonium iodide hydriodideAMMONIUM, (2-(3-GUANIDINOPROPOXY)ETHYL)TRIMETHYL-, IODIDE, HYDRIODIDE
Database identifiers
- CAS
92876-63-6- PubChem CID
- 56495
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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