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Substance Name: 3-(4'-(Ethylene-N,N,N-trimethylamino)phenyl)-2-isothiocyanate
RN: 142937-20-0
InChIKey: BCKZDNKRAWKLBB-UHFFFAOYSA-M

Note

  • A protein sequencing reagent which yields amino acid derivatives with enhanced detectability by mass spectrometry.

Molecular Formula

  • C12-H17-N2-S.Cl

Molecular Weight

  • 256.799
 
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Names and Synonyms

Name of Substance

  • 3-(4'-(Ethylene-N,N,N-trimethylamino)phenyl)-2-isothiocyanate

Synonyms

  • 4-Isothiocyanato-N,N,N-trimethylbenzeneethanaminium chloride
  • Petapitc

Systematic Name

  • Benzeneethanaminium, 4-isothiocyanato-N,N,N-trimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 142937-20-0

System Generated Number

  • 0142937200

Molecular Formulas

Molecular Formula

  • C12-H17-N2-S.Cl

Molecular Formula Fragments

  • C12-H17-N2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N2S.ClH/c1-14(2,3)9-8-11-4-6-12(7-5-11)13-10-15;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1

InChIKey

BCKZDNKRAWKLBB-UHFFFAOYSA-M

Smiles

c1c(ccc(N=C=S)c1)CC[N+](C)(C)C.[ClH-]