Basic information
- CAS
21446-46-8- Standard SMILES
CN1CCC[C@H]1c1ccc[n+](C)c1.[I-]- InChIKey
DYAGPCQOMOCCFX-MERQFXBCSA-M- Molecular formula
- C11H17IN2
- Average molar mass
- 304.17 g/mol
- Monoisotopic mass
- 304.04365
Names & identifiers
- Preferred name
- Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-, iodide (1:1)
- IUPAC
- 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide
- English name
- (S)-1-Methylnicotinium iodide
- Molecular formula
- C11H17IN2
- Molecular weight
- 304.17
Names & synonyms
21446-46-8RefChem:1097374Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-, iodide (1:1)(S)-1-Methylnicotinium IodidePyridinium, 1-methyl-3-(1-methyl-2-pyrrolidinyl)-, iodide, (-)-1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium;iodide1-Methylnicotinium iodideIsomonomethyl nicotinium iodideNicotinium, 1-methyl-, iodideNicotine, methiodide (monomethyl)Iodure de iso-monomethylnicotinium [French]CHEMBL541771
Show more names
1-methylnicotiniumiodide1-methyl-nicotiniuiodideMWYCNEMLYCMAJC-RFVHGSKJSA-Nisomonomethylnicotiniumiodide(S)-1'-METHYLNICOTINIUM IODIDEnicotine,methiodide(monomethyl)ioduredeiso-monomethylnicotinium
SCHEMBL19463212DTXSID00944031Iodure de iso-monomethylnicotinium1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide1-Methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium iodide(S)-1-Methyl-3-(1-methyl-2-pyrrolidinyl)pyridinium Iodide, NIM
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 165 · 165-165.5°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA metabolite of Nicotine
Suppliers12 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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