1-Propanaminium, N-(2-carboxyethyl)-3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-hydroxytridecyl)amino]-N,N-dimethyl-, inner salt

CAS Registry Number®

93776-13-7

CAS Name

1-Propanaminium, N-(2-carboxyethyl)-3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-hydroxytridecyl)amino]-N,N-dimethyl-, inner salt

Molecular Formula

C21H23F21N2O3

Molecular Mass

750.39

Cite this Page

1-Propanaminium, N-(2-carboxyethyl)-3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-hydroxytridecyl)amino]-N,N-dimethyl-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93776-13-7 (retrieved 2025-04-27) (CAS RN: 93776-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23F21N2O3/c1-44(2,7-4-11(46)47)6-3-5-43-9-10(45)8-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h10,43,45H,3-9H2,1-2H3

InChIKey

InChIKey=RONIKGBQXOKGOO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Propanaminium, N-(2-carboxyethyl)-3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-hydroxytridecyl)amino]-N,N-dimethyl-, inner salt
  • 1-Propanaminium, N-(2-carboxyethyl)-3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-hydroxytridecyl)amino]-N,N-dimethyl-, hydroxide, inner salt

CAS INSIGHTSTM
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