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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H30O3S.C3H9N
Molecular Weight 385.604
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYLAMINE O-DODECYLBENZENESULFONATE

SMILES

CC(C)N.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O

InChI

InChIKey=UYLNXHPPEWDOLL-UHFFFAOYSA-N
InChI=1S/C18H30O3S.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-3(2)4/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);3H,4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H30O3S
Molecular Weight 326.494
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H9N
Molecular Weight 59.1103
Charge 0
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 Mon Mar 31 22:03:16 GMT 2025
Edited
by admin
on Mon Mar 31 22:03:16 GMT 2025
Record UNII
TG4VF4L4M2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPROPYLAMINE O-DODECYLBENZENESULFONATE
Common Name English
2-DODECYLBENZENESULFONIC ACID; PROPAN-2-AMINE
Preferred Name English
Code System Code Type Description
FDA UNII
TG4VF4L4M2
Created by admin on Mon Mar 31 22:03:16 GMT 2025 , Edited by admin on Mon Mar 31 22:03:16 GMT 2025
PRIMARY
PUBCHEM
21904083
Created by admin on Mon Mar 31 22:03:16 GMT 2025 , Edited by admin on Mon Mar 31 22:03:16 GMT 2025
PRIMARY