4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)

CAS Registry Number®

906813-01-2
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CAS Name

4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)

Molecular Formula

C17H21N6.Br

Cite this Page

4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=906813-01-2 (retrieved 2024-08-23) (CAS RN: 906813-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H21N6.BrH/c1-16(2,9-18)14-5-13(8-23-12-22(20)11-21-23)6-15(7-14)17(3,4)10-19;/h5-7,11-12H,8,20H2,1-4H3;1H/q+1;/p-1

InChIKey

InChIKey=YNJKOZPKRGRYBN-UHFFFAOYSA-M

SMILES

C(C1=CC(C(C#N)(C)C)=CC(C(C#N)(C)C)=C1)N2N=C[N+](N)=C2.[Br-]

Canonical SMILES

[Br-].N#CC(C1=CC(=CC(=C1)C(C#N)(C)C)CN2N=C[N+](N)=C2)(C)C

Other Names for this Substance

  • 4H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide (1:1)
  • 1H-1,2,4-Triazolium, 4-amino-1-[[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl]-, bromide