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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H36N.C2H3O2
Molecular Weight 301.5078
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hexadecylammonium acetate

SMILES

CC([O-])=O.CCCCCCCCCCCCCCCC[NH3+]

InChI

InChIKey=ANRCSZILOHNONR-UHFFFAOYSA-N
InChI=1S/C16H35N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h2-17H2,1H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C2H3O2
Molecular Weight 59.044
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H36N
Molecular Weight 242.4637
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:22:34 UTC 2023
Edited
by admin
on Sat Dec 16 12:22:34 UTC 2023
Record UNII
NU4N3JF34G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Hexadecylammonium acetate
Systematic Name English
1-Hexadecanamine, acetate
Systematic Name English
1-Hexadecanamine, acetate (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90173994
Created by admin on Sat Dec 16 12:22:34 UTC 2023 , Edited by admin on Sat Dec 16 12:22:34 UTC 2023
PRIMARY
CAS
2016-52-6
Created by admin on Sat Dec 16 12:22:34 UTC 2023 , Edited by admin on Sat Dec 16 12:22:34 UTC 2023
PRIMARY
FDA UNII
NU4N3JF34G
Created by admin on Sat Dec 16 12:22:34 UTC 2023 , Edited by admin on Sat Dec 16 12:22:34 UTC 2023
PRIMARY
PUBCHEM
16227
Created by admin on Sat Dec 16 12:22:34 UTC 2023 , Edited by admin on Sat Dec 16 12:22:34 UTC 2023
PRIMARY
ECHA (EC/EINECS)
217-954-0
Created by admin on Sat Dec 16 12:22:34 UTC 2023 , Edited by admin on Sat Dec 16 12:22:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE