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Substance Name: 1-Octanaminium, N-(carboxymethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, hydroxide, inner salt
RN: 145441-31-2
InChIKey: GAEUOVYQCKBCJA-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-F13-N-O2

Molecular Weight

  • 449.2058
 
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Names and Synonyms

Synonym

  • N,N-Dimethyl-N-(2-F-hexylethyl)ammonioacetate

Systematic Name

  • 1-Octanaminium, N-(carboxymethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 145441-31-2

System Generated Number

  • 0145441312

Structure Descriptors

InChI

1S/C12H12F13NO2/c1-26(2,5-6(27)28)4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3-5H2,1-2H3

InChIKey

GAEUOVYQCKBCJA-UHFFFAOYSA-N

Smiles

C[N+](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 10mg/kg (10mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 891, 1992.