Iem 1742
Basic information
- CAS
120186-29-0- Standard SMILES
CC[N+](CC)(CC)CCCCC[N+]1(CC)CCCC1.[I-].[I-]- InChIKey
HITJPELVNKNFAK-UHFFFAOYSA-L- Molecular formula
- C17H38I2N2
- Average molar mass
- 524.3 g/mol
- Monoisotopic mass
- 524.11244
Overview
RN given from Toxlit 6/89
Names & identifiers
- Preferred name
- Iem 1742
- IUPAC
- triethyl-[5-(1-ethylpyrrolidin-1-ium-1-yl)pentyl]azanium diiodide
Names & synonyms
Iem 1742Iem-1742120186-29-0RefChem:147721Pyrrolidinium, 1-ethyl-1-(5-(triethylammonio)pentyl)-, diiodideDTXSID809232631-Ethyl-1-[5-(triethylazaniumyl)pentyl]pyrrolidin-1-ium diiodide
Database identifiers
- CAS
120186-29-0- PubChem CID
- 129081
- DTXSID
DTXSID80923263
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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