Basic information
- CAS
54099-12-6- Standard SMILES
CC[N+](C)(C)CC(C)OC(=O)CC12CC3CC(CC(C3)C1)C2.[I-]- InChIKey
KBIQABKMSONMIL-UHFFFAOYSA-M- Molecular formula
- C19H34INO2
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.16343
Names & identifiers
- Preferred name
- Ammonium, (2-hydroxypropyl)dimethylethyl-, iodide, 1-adamantaneacetate
- IUPAC
- 2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium iodide
Names & synonyms
54099-12-61-Adamantaneacetic acid, 3-(dimethylamino)propyl ester, ethyl iodideAMMONIUM, (2-HYDROXYPROPYL)DIMETHYLETHYL-, IODIDE, 1-ADAMANTANEACETATERefChem:318816DTXSID309689622-{[(Adamantan-1-yl)acetyl]oxy}-N-ethyl-N,N-dimethylpropan-1-aminium iodide
Database identifiers
- CAS
54099-12-6- PubChem CID
- 40993
- DTXSID
DTXSID30968962
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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