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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H16N.Br
Molecular Weight 182.102
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Trimethylpropylammonium bromide

SMILES

[Br-].CCC[N+](C)(C)C

InChI

InChIKey=FCGQIZKUTMUWDC-UHFFFAOYSA-M
InChI=1S/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;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 C6H16N
Molecular Weight 102.1979
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Tue Apr 01 20:03:36 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:36 GMT 2025
Record UNII
FWF6WK28J5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trimethylpropylammonium bromide
Systematic Name English
NSC-97198
Preferred Name English
Propyltrimethylammonium bromide
Common Name English
1-Propanaminium, N,N,N-trimethyl-, bromide (1:1)
Systematic Name English
1-Propanaminium, N,N,N-trimethyl-, bromide
Systematic Name English
Trimethyl(propyl)azanium;bromide
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80883878
Created by admin on Tue Apr 01 20:03:36 GMT 2025 , Edited by admin on Tue Apr 01 20:03:36 GMT 2025
PRIMARY
PUBCHEM
75853
Created by admin on Tue Apr 01 20:03:36 GMT 2025 , Edited by admin on Tue Apr 01 20:03:36 GMT 2025
PRIMARY
NSC
97198
Created by admin on Tue Apr 01 20:03:36 GMT 2025 , Edited by admin on Tue Apr 01 20:03:36 GMT 2025
PRIMARY
CAS
2650-50-2
Created by admin on Tue Apr 01 20:03:36 GMT 2025 , Edited by admin on Tue Apr 01 20:03:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
220-172-2
Created by admin on Tue Apr 01 20:03:36 GMT 2025 , Edited by admin on Tue Apr 01 20:03:36 GMT 2025
PRIMARY
FDA UNII
FWF6WK28J5
Created by admin on Tue Apr 01 20:03:36 GMT 2025 , Edited by admin on Tue Apr 01 20:03:36 GMT 2025
PRIMARY
Related Record Type Details
Structure of Trimethylpropylammonium
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966