Basic information
- CAS
64690-21-7- Standard SMILES
CCCCCCCCNc1cc[n+](CCCCCCCCCC[n+]2ccc(NCCCCCCCC)cc2)cc1.[Cl-].[Cl-]- InChIKey
SMGTYJPMKXNQFY-UHFFFAOYSA-N- Molecular formula
- C36H64Cl2N4
- Average molar mass
- 623.8 g/mol
- Monoisotopic mass
- 622.4508034
Overview
See also: Octenidine Hydrochloride (preferred); Octenidine (has active moiety).
Names & identifiers
- Preferred name
- 1,1'-(Decane-1,10-diyl)bis[4-(octylamino)pyridinium] dichloride
- IUPAC
- N-octyl-1-[10-[4-(octylamino)pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-amine dichloride
- English name
- 1,1'-(decane-1,10-diyl)bis[4-(octylamino)pyridinium] dichloride
- Molecular formula
- C36H64Cl2N4
- Molecular weight
- 623.82616
Names & synonyms
64690-21-71,1'-(1,10-Decanediyl)bis(4-(octylamino)pyridinium) dichloride1,1'-(DECANE-1,10-DIYL)BIS[4-(OCTYLAMINO)PYRIDINIUM] DICHLORIDE1,1'-(Decane-1,10-diyl)bis(4-(octylamino)pyridin-1-ium) chlorideN-octyl-1-[10-[4-(octylamino)pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-amine;dichloride1,1'-(Decane-1,10-diyl)bis(4-(octylamino)pyridinium) dichlorideEINECS 265-020-61,10-Bis(4-(octylamino)-1-pyridinium)decane dichloridePyridinium, 1,1'-(1,10-decanediyl)bis(4-(octylamino)-, dichlorideorb1304344SCHEMBL2332301AKOS017345163
Show more names
OCTENIDINE 2HCL1,10-Bis[4-(octylamino)-1-pyridinium]decane dichloridePyridinium,1,1'-(1,10-decanediyl)bis[4-(octylamino)-, chloride (1:2)
AS-18995NS00086116F114251,1'-(Decane-1,10-diyl)bis(4-(octylamino)pyridin-1-ium)chloride
Properties
Computed structural properties
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 27
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 465
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 1 (100%)
Chemistry & industry
Suppliers2 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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