Basic information
- CAS
63981-95-3- Standard SMILES
CC[N+](C)(C)CCCc1ccc([N+](C)(C)CC)cc1.[I-].[I-]- InChIKey
YFAJFUPAVXENCH-UHFFFAOYSA-L- Molecular formula
- C17H32I2N2
- Average molar mass
- 518.3 g/mol
- Monoisotopic mass
- 518.06549
Names & identifiers
- Preferred name
- Ammonium, (3-(p-ethyldimethylammoniophenyl)propyl)ethyldimethyl-, diiodide
- IUPAC
- ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]phenyl]propyl]-dimethylazanium diiodide
Names & synonyms
63981-95-3AMMONIUM, (3-(p-ETHYLDIMETHYLAMMONIOPHENYL)PROPYL)ETHYLDIMETHYL-, DIIODIDEM & B 2056RefChem:318848ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]phenyl]propyl]-dimethylazanium;diiodideorb1986552DTXSID50981658AKOS040750469T30009N-Ethyl-4-{3-[ethyl(dimethyl)azaniumyl]propyl}-N,N-dimethylanilinium diiodideN-Ethyl-4-{3-[ethyldi(methyl)azaniumyl]propyl}-N,N-dimethylanilinium diiodide
Database identifiers
- CAS
63981-95-3- PubChem CID
- 46034
- DTXSID
DTXSID50981658
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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