U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N.Br
Molecular Weight 250.134
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tetrapropargylammonium bromide

SMILES

[Br-].C#CC[N+](CC#C)(CC#C)CC#C

InChI

InChIKey=MBDXHRCESWVPHA-UHFFFAOYSA-M
InChI=1S/C12H12N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h1-4H,9-12H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H12N
Molecular Weight 170.2304
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:56:55 GMT 2025
Edited
by admin
on Tue Apr 01 19:56:55 GMT 2025
Record UNII
XDF6DKZ8LK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-196151
Preferred Name English
Tetrapropargylammonium bromide
Systematic Name English
2-Propyn-1-aminium, N,N,N-tri-2-propynyl-, bromide
Systematic Name English
Tetra(2-propynyl)ammonium bromide
Systematic Name English
Ammonium, tetra(2-propynyl)-, bromide
Systematic Name English
Code System Code Type Description
FDA UNII
XDF6DKZ8LK
Created by admin on Tue Apr 01 19:56:55 GMT 2025 , Edited by admin on Tue Apr 01 19:56:55 GMT 2025
PRIMARY
PUBCHEM
51943
Created by admin on Tue Apr 01 19:56:55 GMT 2025 , Edited by admin on Tue Apr 01 19:56:55 GMT 2025
PRIMARY
CAS
73637-00-0
Created by admin on Tue Apr 01 19:56:55 GMT 2025 , Edited by admin on Tue Apr 01 19:56:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID40994439
Created by admin on Tue Apr 01 19:56:55 GMT 2025 , Edited by admin on Tue Apr 01 19:56:55 GMT 2025
PRIMARY
NSC
196151
Created by admin on Tue Apr 01 19:56:55 GMT 2025 , Edited by admin on Tue Apr 01 19:56:55 GMT 2025
PRIMARY