Basic information
- CAS
53251-92-6- Standard SMILES
CC[N+](C)(CC)CCOCCC1CCC2CC1C2(C)C.[I-]- InChIKey
BYERQZBUECJLQD-UHFFFAOYSA-M- Molecular formula
- C18H36INO
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.18416
Overview
RN given refers to iodide; cpd not in Chemline 7/11/83; structure
Names & identifiers
- Preferred name
- 1694, Norpinane
- IUPAC
- 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl-diethyl-methylazanium iodide
Names & synonyms
1694, Norpinane53251-92-6RefChem:79061Diethyl(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)methylammonium iodide1694, norpinane iodideDTXSID309678192-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl-diethyl-methylazanium;iodideAMMONIUM, DIETHYL(2-(2-(6,6-DIMETHYL-2-NORPINYL)ETHOXY)ETHYL)METHYL-, IODIDE2-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-yl)ethoxy)-N,N-diethyl-N-methylethanaminium2-[2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]-N,N-diethyl-N-methylethan-1-aminium iodide
Database identifiers
- CAS
53251-92-6- PubChem CID
- 40701
- DTXSID
DTXSID30967819
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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