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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 P-DODECYLBENZENESULFONATE

SMILES

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

InChI

InChIKey=WCWPXPYWUZAHDM-UHFFFAOYSA-N
InChI=1S/C18H30O3S.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-3(2)4/h13-16H,2-12H2,1H3,(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 Sat Dec 16 01:53:51 UTC 2023
Edited
by admin
on Sat Dec 16 01:53:51 UTC 2023
Record UNII
76S2EQP78F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPROPYLAMINE P-DODECYLBENZENESULFONATE
Common Name English
ISOPROPYLAMINE 4-DODECYLBENZENESULFONATE
Systematic Name English
BENZENESULFONIC ACID, P-DODECYL-, COMPD. WITH ISOPROPYLAMINE (1:1)
Common Name English
BENZENESULFONIC ACID, 4-DODECYL-, COMPD. WITH 2-PROPANAMINE (1:1)
Common Name English
2-PROPANAMINE, 4-DODECYLBENZENESULFONATE
Systematic Name English
Code System Code Type Description
CAS
14356-37-7
Created by admin on Sat Dec 16 01:53:51 UTC 2023 , Edited by admin on Sat Dec 16 01:53:51 UTC 2023
PRIMARY
ECHA (EC/EINECS)
247-556-2
Created by admin on Sat Dec 16 01:53:51 UTC 2023 , Edited by admin on Sat Dec 16 01:53:51 UTC 2023
PRIMARY
PUBCHEM
71586980
Created by admin on Sat Dec 16 01:53:51 UTC 2023 , Edited by admin on Sat Dec 16 01:53:51 UTC 2023
PRIMARY
FDA UNII
76S2EQP78F
Created by admin on Sat Dec 16 01:53:51 UTC 2023 , Edited by admin on Sat Dec 16 01:53:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID60162456
Created by admin on Sat Dec 16 01:53:51 UTC 2023 , Edited by admin on Sat Dec 16 01:53:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE