Basic information
- CAS
17479-21-9- Standard SMILES
C[N+]1(C)CCCC1c1cccnc1- InChIKey
WYBBYUGHCIQZBV-UHFFFAOYSA-N- Molecular formula
- C11H17N2+
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.13917355
Overview
RN given for parent cpd
Names & identifiers
- Preferred name
- N'-Methylnicotinium
- IUPAC
- 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine
- English name
- N'-methylnicotinium
- Molecular formula
- C11H17N2+
- Molecular weight
- 177.26608
Names & synonyms
N'-Methylnicotinium17479-21-9RefChem:160578DTXSID509385811,1-DIMETHYL-2-(PYRIDIN-3-YL)PYRROLIDIN-1-IUMSCHEMBL142455311,1-Dimethyl-2-(3-pyridinyl)pyrrolidiniumPyrrolidinium, 1,1-dimethyl-2-(3-pyridinyl)-
Database identifiers
- CAS
17479-21-9- PubChem CID
- 22247
- DTXSID
DTXSID50938581- Nikkaji
- J491.413I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 177
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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