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Substance Name: 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(3-(((13Z)-1-oxo-13-docosen-1-yl)amino)propyl)-3-sulfo-, inner salt
RN: 164118-71-2
InChIKey: ONYHQNURMVNRJZ-QXMHVHEDSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C30-H60-N2-O5-S

Molecular Weight

  • 560.879
 
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Names and Synonyms

  • 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(3-(((13Z)-1-oxo-13-docosen-1-yl)amino)propyl)-3-sulfo-, inner salt

Registry Numbers

CAS Registry Number

  • 164118-71-2

System Generated Number

  • 0164118712

Structure Descriptors

InChI

1S/C30H60N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(34)31-25-23-26-32(2,3)27-29(33)28-38(35,36)37/h11-12,29,33H,4-10,13-28H2,1-3H3,(H-,31,34,35,36,37)/b12-11-

InChIKey

ONYHQNURMVNRJZ-QXMHVHEDSA-N

Smiles

CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-]