Pentamethonium diiodide
Basic information
- CAS
5282-80-4- Standard SMILES
C[N+](C)(C)CCCCC[N+](C)(C)C.[I-].[I-]- InChIKey
SRFSMBZBBSVMKO-UHFFFAOYSA-L- Molecular formula
- C11H28I2N2
- Average molar mass
- 442.16 g/mol
- Monoisotopic mass
- 442.03419
Names & identifiers
- Preferred name
- Pentamethonium diiodide
- IUPAC
- trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
Names & synonyms
pentamethonium diiodideRefChem:171395Pentamethonium iodide5282-80-45482-80-4RZ5K7X3D10N,N'-Pentamethylenebis(trimethylammonium) di-iodideNSC-148337N1,N1,N1,N5,N5,N5-Hexamethylpentane-1,5-diaminium iodidePentamethylenebis(trimethylammonium iodide)EINECS 226-111-6NSC 148337
Show more names
UNII-RZ5K7X3D10Pentamethonium iodide [INN:BAN]1,5-Pentanediaminium, N,N,N,N',N',N'-hexamethyl-, diiodideN,N'-Pentamethylenebis(trimethylammonium) diiodideorb2815511SCHEMBL1981108AMMONIUM, PENTAMETHYLENEBIS(TRIMETHYL-, DIIODIDECHEMBL2106983
Database identifiers
- CAS
5282-80-4- PubChem CID
- 21353
- DTXSID
DTXSID30970166- ChEMBL
CHEMBL2106983- UNII
- RZ5K7X3D10
- EC Number
- 226-111-6
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 112
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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