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Details

Stereochemistry ACHIRAL
Molecular Formula C20H44N.C10H13O
Molecular Weight 447.7797
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethylhexadecyldimethylammonium 2-tert-butylphenolate

SMILES

CC(C)(C)C1=CC=CC=C1[O-].CCCCCCCCCCCCCCCC[N+](C)(C)CC

InChI

InChIKey=QDEUHIXAYJNYJY-UHFFFAOYSA-M
InChI=1S/C20H44N.C10H14O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-10(2,3)8-6-4-5-7-9(8)11/h5-20H2,1-4H3;4-7,11H,1-3H3/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C20H44N
Molecular Weight 298.5701
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H13O
Molecular Weight 149.2096
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 Tue Apr 01 17:40:46 GMT 2025
Edited
by admin
on Tue Apr 01 17:40:46 GMT 2025
Record UNII
6G4Y5CN6B9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethylhexadecyldimethylammonium 2-tert-butylphenolate
Systematic Name English
1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, salt with 2-(1,1-dimethylethyl)phenol (1:1)
Preferred Name English
Code System Code Type Description
CAS
93981-91-0
Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025
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PUBCHEM
44147659
Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025
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EPA CompTox
DTXSID80240104
Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025
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ECHA (EC/EINECS)
301-180-6
Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025
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FDA UNII
6G4Y5CN6B9
Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025
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