CAS 876-87-9 1,2-Dimethylquinolinium iodide (HCID 2750445)

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Basic information

CAS: 876-87-9
Standard SMILES: Cc1ccc2ccccc2[n+]1C.[I-]
InChIKey: XXCFMHCLWHXDAV-UHFFFAOYSA-M
Molecular formula: C11H12IN
Average molar mass: 285.12 g/mol
Monoisotopic mass: 285.00145

Overview

See also: Quinaldine methyl iodide (annotation moved to).

Names & identifiers

Preferred name: 1,2-Dimethylquinolinium iodide
IUPAC: 1,2-dimethylquinolin-1-ium iodide
English name: 2-Methylquinoline methyl iodide
Molecular formula: C11H12IN
Molecular weight: 285.12

Names & synonyms

1,2-Dimethylquinolinium iodide876-87-9Quinolinium, 1,2-dimethyl-, iodide1,2-dimethylquinolin-1-ium iodide1,2-dimethylquinolin-1-ium;iodideMFCD000503201,2-DimethylquinoliniumiodideSCHEMBL2031115SCHEMBL3734263SCHEMBL30841278Quinolinium,2-dimethyl-, iodideDTXSID70372807

Show more names

1-QUINALDINIUM IODIDEQUINALDINE METHYL IODIDECHINALDINE METHYL IODIDE2-Methylquinoline methyl iodideQuinaldinium, 1-methyl-, iodide

NSC4625XXCFMHCLWHXDAV-UHFFFAOYSA-MNSC 4625NSC-4625AKOS004905691H35580WLN: T66 BKJ B1 C1 &I &6/16

Database identifiers

CAS: 876-87-9
PubChem CID: 2750445
DTXSID: DTXSID70372807

Properties

Computed structural properties

Topological polar surface area: 3.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 155

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501