Basic information
- CAS
4028-98-2- Standard SMILES
CC(=O)[O-].CC(=O)[O-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21- InChIKey
IWYNVAJACBPVLT-UHFFFAOYSA-N- Molecular formula
- C34H46N4O4
- Average molar mass
- 574.8 g/mol
- Monoisotopic mass
- 574.35190596
Overview
See also: Dequalinium (has active moiety); Dequalinium Chloride (related).
Names & identifiers
- Preferred name
- Dequalinium Acetate
- IUPAC
- 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine diacetate
- English name
- 1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diacetate
- Molecular formula
- C34H46N4O4
- Molecular weight
- 574.75344
Names & synonyms
DEQUALINIUM ACETATE4028-98-2Acetate, DequaliniumP8W4UX112S1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diacetateDTXSID801932671,1'-(Decane-1,10-diyl)bis(4-amino-2-methylquinolinium) diacetateQuinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, diacetateDequalinium DiacetateDiacetate, DequaliniumRefChem:132045DTXCID90115758
Show more names
1,1'-Decamethylenebis[4-aminoquinaldinium acetate]
Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-), Diacetate223-712-5Dequadin acetateDecalinium acetate1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;diacetateEINECS 223-712-51,1'-Decamethylenebis(4-aminoquinaldinium acetate)UNII-P8W4UX112S
Database identifiers
- CAS
4028-98-2- PubChem CID
- 19939
- DTXSID
DTXSID80193267
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 558
Experimental & physicochemical properties
CosmeticsAntimicrobial; Deodorant
Physicochemical properties
- Cosmetics Ingredients Functions
- ANTIMICROBIALDEODORANT
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 W4UX112S · P8W4UX112S
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Uses & manufacturing
Use ClassificationCosmetics -> Antimicrobial; Deodorant
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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