Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate
Basic information
- CAS
54099-11-5- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)CC12CC3CC(CC(C3)C1)C2.[I-]- InChIKey
NDRIOWGFCRXOSI-UHFFFAOYSA-M- Molecular formula
- C20H36INO2
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 449.17908
Names & identifiers
- Preferred name
- Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate
- IUPAC
- 2-[2-(1-adamantyl)acetyl]oxyethyl-triethylazanium iodide
Names & synonyms
54099-11-51-Adamantaneacetic acid, 2-(diethylamino)ethyl ester, ethyl iodideAMMONIUM, (2-HYDROXYETHYL)TRIETHYL-, IODIDE, 1-ADAMANTANEACETATERefChem:318804DTXSID709689612-{[(Adamantan-1-yl)acetyl]oxy}-N,N,N-triethylethan-1-aminium iodide
Database identifiers
- CAS
54099-11-5- PubChem CID
- 40991
- DTXSID
DTXSID70968961
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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