(5-Hydroxycarvacryl)trimethylammonium iodide, dimethylcarbamate

[3-(dimethylcarbamoyloxy)-2-methyl-5-propan-2-ylphenyl]-trimethylazanium iodide

CAS: 63981-86-2

Molecular Formula	`C16H27IN2O2`
Molecular Weight	406.3 g/mol
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	406.11172
Heavy Atoms	21
Complexity	334.0

Chemical Identifiers

CAS Number	63981-86-2
SMILES	`CC1=C(C=C(C=C1OC(=O)N(C)C)C(C)C)[N+](C)(C)C.[I-]`
InChIKey	`OWBMIRJXYXGPCS-UHFFFAOYSA-M`

📖 Product Overview

(5-Hydroxycarvacryl)trimethylammonium iodide, dimethylcarbamate (CAS: 63981-86-2) is a chemical compound with molecular formula C16H27IN2O2 and molecular weight 406.3 g/mol. Its IUPAC systematic name is [3-(dimethylcarbamoyloxy)-2-methyl-5-propan-2-ylphenyl]-trimethylazanium iodide. Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 406.11172 Heavy Atoms 21 Complexity 334.0 InChI Key: OWBMIRJXYXGPCS-UHFFFAOYSA-M. SMILES: CC1=C(C=C(C=C1OC(=O)N(C)C)C(C)C)[N+](C)(C)C.[I-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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