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Details

Stereochemistry ACHIRAL
Molecular Formula C17H30N
Molecular Weight 248.4268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BENZYLDIMETHYLOCTYLAMMONIUM

SMILES

CCCCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChIKey=SHFLYPPECXRCFO-UHFFFAOYSA-N
InChI=1S/C17H30N/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C17H30N
Molecular Weight 248.4268
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:45:31 GMT 2023
Edited
by admin
on Sat Dec 16 05:45:31 GMT 2023
Record UNII
JJ34P08YMQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLDIMETHYLOCTYLAMMONIUM
Systematic Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-OCTYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50196982
Created by admin on Sat Dec 16 05:45:31 GMT 2023 , Edited by admin on Sat Dec 16 05:45:31 GMT 2023
PRIMARY
PUBCHEM
13741
Created by admin on Sat Dec 16 05:45:31 GMT 2023 , Edited by admin on Sat Dec 16 05:45:31 GMT 2023
PRIMARY
FDA UNII
JJ34P08YMQ
Created by admin on Sat Dec 16 05:45:31 GMT 2023 , Edited by admin on Sat Dec 16 05:45:31 GMT 2023
PRIMARY
CAS
46917-11-7
Created by admin on Sat Dec 16 05:45:31 GMT 2023 , Edited by admin on Sat Dec 16 05:45:31 GMT 2023
PRIMARY
Related Record Type Details
IONIC MOIETY