Basic information
- CAS
194805-30-6- Standard SMILES
Cl/C=C/C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]- InChIKey
UKHVLWKBNNSRRR-TYYBGVCCSA-M- Molecular formula
- C9H16Cl2N4
- Average molar mass
- 251.15 g/mol
Overview
Quaternium-15 is a quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent. It has a role as an antibacterial agent, a disinfectant, an allergen and a hapten. It is a quaternary ammonium salt and an organochlorine compound. It is functionally related to a hexamethylenetetramine.
Names & identifiers
- Preferred name
- Quaternium-15 trans-
- IUPAC
- 1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
- English name
- chloride
- Molecular formula
- Cl-
- Molecular weight
- 35.453
Names & synonyms
194805-30-62W5B4VJ152Quaternium-15 trans-RefChem:1097704Quaternium-15 trans-formQuaternim-15 trans-formMethenamine 3-chloroallylochlorideUNII-2W5B4VJ152Dowicil 751-(3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chlorideXD-1840Caswell No. 181
Show more names
UNII-E40U03LEM0CCRIS 1398HSDB 6820EINECS 223-805-0EPA Pesticide Chemical Code 017901NSC 172971SCHEMBL152697Clethodim Impurity 21 Chloride
Database identifiers
- CAS
194805-30-6、4080-31-3- PubChem CID
- 6433396
- ChEBI
CHEBI:59607- UNII
- 2W5B4VJ152
Properties
Computed structural properties
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- FDA UNII
- 2 W5B4VJ152 · 2W5B4VJ152
Safety & regulation
Toxicology
Acute Toxicity LinkChemical: DOWICIL 75
Chemistry & industry
Uses & manufacturing
Use ClassificationANTIMICROBIAL AGENTS
Suppliers2 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Additional notes
DefinitionChEBI: Quaternium-15 is a quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent. It has a role as a disinfectant, an antibacterial agent, a hapten and an allergen. It is a quaternary ammonium salt and an organochlorine compound. It is functionally related to a hexamethylenetetramine.
Related reactions
1 records
Compound notes
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