Amantanium
Basic information
- CAS
782393-22-0- Standard SMILES
CCCCCCCCCC[N+](C)(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
NMRJDSZFSHRJHS-UHFFFAOYSA-N- Molecular formula
- C25H46NO2+
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 392.35285471
Names & identifiers
- Preferred name
- Amantanium
- IUPAC
- 2-(adamantane-1-carbonyloxy)ethyl-decyl-dimethylazanium
Names & synonyms
AmantaniumAmantanium ionAmantanium cation782393-22-0UNII-W54W843QU0W54W843QU0Decyl(2-hydroxyethyl)dimethylammonium 1-adamantanecarboxylate1-Decanaminium, N,N-dimethyl-N-(2-((tricyclo(3.3.1.13,7)dec-1-ylcarbonyl)oxy)ethyl)-RefChem:111826CHEMBL2110921SCHEMBL29405298Q27292314
Database identifiers
- CAS
782393-22-0- PubChem CID
- 168907
- ChEMBL
CHEMBL2110921- UNII
- W54W843QU0
- Nikkaji
- J238.649F
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 1
- Complexity
- 457
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Compound notes
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