Benzenepropanaminium, γ-(aminocarbonyl)-N-ethyl-N,N-dimethyl-γ-phenyl-, bromide (1:1)

CAS Registry Number®

115-51-5
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CAS Name

Benzenepropanaminium, γ-(aminocarbonyl)-N-ethyl-N,N-dimethyl-γ-phenyl-, bromide (1:1)

Molecular Formula

C20H27N2O.Br

Cite this Page

Benzenepropanaminium, γ-(aminocarbonyl)-N-ethyl-N,N-dimethyl-γ-phenyl-, bromide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115-51-5 (retrieved 2022-09-27) (CAS RN: 115-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H26N2O.BrH/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3,(H-,21,23);1H

InChIKey

InChIKey=VTAGVKVPFBOVRM-UHFFFAOYSA-N

SMILES

C(CC[N+](CC)(C)C)(C(N)=O)(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]

Canonical SMILES

[Br-].O=C(N)C(C=1C=CC=CC1)(C=2C=CC=CC2)CC[N+](C)(C)CC

Other Names for this Substance

  • Benzenepropanaminium, γ-(aminocarbonyl)-N-ethyl-N,N-dimethyl-γ-phenyl-, bromide (1:1)
  • Ammonium, (3-carbamoyl-3,3-diphenylpropyl)ethyldimethyl-, bromide
  • Benzenepropanaminium, γ-(aminocarbonyl)-N-ethyl-N,N-dimethyl-γ-phenyl-, bromide
  • (3-Carbamoyl-3,3-diphenylpropyl)ethyldimethylammonium bromide
  • BL 700