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Hexapyrrolidinium bromide

CAT: 0931-T34211-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34211-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13118-09-7
Target
Others
Related Pathways
Others
Bioactivity
Pyrrolidinium, 1,1'-hexamethylenebis (1-methyl-, dibromide is a bioactive chemical.
Smiles
C[N+]1(CCCC1)CCCCCC[N+]2(CCCC2)C.[Br-].[Br-]
Molecular Formula
C16H34Br2N2
Molecular Weight
414.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,1'-(Hexane-1,6-diyl)bis(1-methylpyrrolidin-1-ium) dibromide
CAS Number13118-09-7
PubChem CID83157
IUPAC Name1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dibromide
Molecular FormulaC16H34Br2N2
Molecular Weight414.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity211
SMILES
C[N+]1(CCCC1)CCCCCC[N+]2(CCCC2)C.[Br-].[Br-]
InChI
InChI=1S/C16H34N2.2BrH/c1-17(13-7-8-14-17)11-5-3-4-6-12-18(2)15-9-10-16-18;;/h3-16H2,1-2H3;2*1H/q+2;;/p-2
InChIKey
GNDQRLWDVIQPMI-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 1,1'-(Hexane-1,6-diyl)bis(1-methylpyrrolidin-1-ium) dibromide
CAS: 13118-09-7
CID: 83157
Formula: C16H34Br2N2
MW: 414.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass414.10682
Monoisotopic Mass412.10887
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19222866-01Hexapyrrolidinium bromide
29309654-500gHexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)
CB0105Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)
AR-I03852-01Ipratropium Bromide Impurity 11 Bromide
AR-U01225-01Umeclidinium Bromide Impurity 6 Bromide
AR-R11297-01Rocuronium Bromide Impurity 7 Bromide
O5553-02Octylonium Bromide (Spasmonen. Otilonium Bromide)
AR-I03850-01Ipratropium Bromide Impurity 6 Bromide
AR-P31696-01Pinaverium Bromide Impurity 7 Bromide
AR-U01227-01Umeclidinium Bromide Impurity 12 Bromide

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