Basic information
- CAS
100-95-8- Standard SMILES
CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
COLOBWZNRYGBRU-UHFFFAOYSA-N- Molecular formula
- C23H41ClN2O
- Average molar mass
- 397 g/mol
- Monoisotopic mass
- 396.2907416
Overview
antiseptic, disinfectant; RN given refers to chloride; structure
Names & identifiers
- Preferred name
- Metalkonium Chloride
- IUPAC
- benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium chloride
- English name
- benzyl[2-(dodecylamino)-2-oxoethyl]dimethylammonium chloride
- Molecular formula
- C23H41ClN2O
- Molecular weight
- 397.03744
Names & synonyms
Metalkonium chloride100-95-8Dodecarbonium chlorideStraminolHydramonDodecarboniumNopcoccideQuartholiteQuartolanUrolocideTheotexChlorure de metalkonium
Show more names
QuatolanMetalkoniumbenzyl-(dodecylcarbamoyl-methyl)-dimethyl-ammoniumbenzyl[2-(dodecylamino)-2-oxoethyl]dimethylammonium chloridebenzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium chloridebenzyl-[2-keto-2-(laurylamino)ethyl]-dimethyl-ammonium chloride[2-(dodecylamino)-2-oxo-ethyl]-dimethyl-(phenylmethyl)azanium chloride
Metalkonii chloridumCloruruo de metalconioMetalkonium chloride [INN]Caswell No. 083DMetalkonii chloridum [INN-Latin]UNII-IM6BZ8F57JEINECS 202-904-2IM6BZ8F57J
Database identifiers
- CAS
100-95-8- PubChem CID
- 7535
- DTXSID
DTXSID20878647
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 147 · 147-148°
- FDA UNII
- 6 BZ8F57J · IM6BZ8F57J
- EPA Substance Registry System
- Metalkonium chloride (100-95-8)
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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
- ridadr
- 2811
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesBiocide, disinfectant.
Suppliers6 total
HONEST JOY HOLDINGS LIMITED[email protected]
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
CHEMICAL LAND21[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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