Benzeneethanaminium, N-dodecyl-β-hydroxy-N,N,α-trimethyl-, bromide (1:1), (αS,βR)-

CAS Registry Number®

57155-63-2

CAS Name

Benzeneethanaminium, N-dodecyl-β-hydroxy-N,N,α-trimethyl-, bromide (1:1), (αS,βR)-

Molecular Formula

C23H42NO.Br

Cite this Page

Benzeneethanaminium, N-dodecyl-β-hydroxy-N,N,α-trimethyl-, bromide (1:1), (αS,βR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57155-63-2 (retrieved 2024-11-22) (CAS RN: 57155-63-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    96 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H42NO.BrH/c1-5-6-7-8-9-10-11-12-13-17-20-24(3,4)21(2)23(25)22-18-15-14-16-19-22;/h14-16,18-19,21,23,25H,5-13,17,20H2,1-4H3;1H/q+1;/p-1/t21-,23-;/m0./s1

InChIKey

InChIKey=GOIUTZPQFMGLAH-IUQUCOCYSA-M

SMILES

[C@@H]([C@@H]([N+](CCCCCCCCCCCC)(C)C)C)(O)C1=CC=CC=C1.[Br-]

Canonical SMILES

[Br-].OC(C=1C=CC=CC1)C(C)[N+](C)(C)CCCCCCCCCCCC

Other Names for this Substance

  • Benzeneethanaminium, N-dodecyl-β-hydroxy-N,N,α-trimethyl-, bromide (1:1), (αS,βR)-
  • Benzeneethanaminium, N-dodecyl-β-hydroxy-N,N,α-trimethyl-, bromide, [R-(R*,S*)]-
  • Benzeneethanaminium, N-dodecyl-β-hydroxy-N,N,α-trimethyl-, bromide, (αS,βR)-
  • (-)-N-Dodecyl-N-methylephedrinium bromide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration