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Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H19NO2.H2O4S
Molecular Weight 468.605
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis((3-(acryloyloxy)-2,2-dimethylpropyl)dimethylammonium) sulfate

SMILES

OS(O)(=O)=O.CN(C)CC(C)(C)COC(=O)C=C.CN(C)CC(C)(C)COC(=O)C=C

InChI

InChIKey=WJSTVUXBKGTLBZ-UHFFFAOYSA-N
InChI=1S/2C10H19NO2.H2O4S/c2*1-6-9(12)13-8-10(2,3)7-11(4)5;1-5(2,3)4/h2*6H,1,7-8H2,2-5H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C10H19NO2
Molecular Weight 185.2634
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
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 19:07:15 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:15 GMT 2023
Record UNII
P3KX6TTR3V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bis((3-(acryloyloxy)-2,2-dimethylpropyl)dimethylammonium) sulfate
Systematic Name English
Bis((3-(acryloyloxy)-2,2-dimethylpropyl)dimethylammonium) sulphate
Systematic Name English
2-Propenoic acid, 3-(dimethylamino)-2,2-dimethylpropyl ester, sulfate (2:1)
Systematic Name English
Code System Code Type Description
CAS
95873-48-6
Created by admin on Sat Dec 16 19:07:15 GMT 2023 , Edited by admin on Sat Dec 16 19:07:15 GMT 2023
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PUBCHEM
44145221
Created by admin on Sat Dec 16 19:07:15 GMT 2023 , Edited by admin on Sat Dec 16 19:07:15 GMT 2023
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FDA UNII
P3KX6TTR3V
Created by admin on Sat Dec 16 19:07:15 GMT 2023 , Edited by admin on Sat Dec 16 19:07:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID80914772
Created by admin on Sat Dec 16 19:07:15 GMT 2023 , Edited by admin on Sat Dec 16 19:07:15 GMT 2023
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