Ammonium, (4-hydroxy-m-tolyl)trimethyl-, iodide, dimethylcarbamate

HCID 46974

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Basic information

CAS: 64050-08-4
Standard SMILES: Cc1cc([N+](C)(C)C)ccc1OC(=O)N(C)C.[I-]
InChIKey: BVSYBYBZQLKWDD-UHFFFAOYSA-M
Molecular formula: C13H21IN2O2
Average molar mass: 364.22 g/mol
Monoisotopic mass: 364.06478

Names & identifiers

Preferred name: Ammonium, (4-hydroxy-m-tolyl)trimethyl-, iodide, dimethylcarbamate
IUPAC: [4-(dimethylcarbamoyloxy)-3-methylphenyl]-trimethylazanium iodide

Names & synonyms

64050-08-4Carbamic acid, dimethyl-, p-(trimethylammonio)-o-tolyl ester, iodideAmmonium, (4-(N,N-dimethylcarbamoyloxy)-3-methylphenyl)trimethyl-, iodideAMMONIUM, (4-HYDROXY-m-TOLYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATECarbamic acid, N,N-dimethyl-, 4-dimethylamino-2-methylphenyl ester, methiodideRefChem:318918SB-3SCHEMBL29354758DTXSID309823804-[(dimethylcarbamoyl)oxy]-N,N,N,3-tetramethylanilinium iodide

Database identifiers

CAS: 64050-08-4
PubChem CID: 46974
DTXSID: DTXSID30982380

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 271

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