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Details

Stereochemistry RACEMIC
Molecular Formula C13H29ClNO.Cl
Molecular Weight 286.281
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-CHLORO-2-HYDROXYPROPYL)-CAPRYLYL-DIMETHYLAZANIUM CHLORIDE

SMILES

[Cl-].CCCCCCCC[N+](C)(C)CC(O)CCl

InChI

InChIKey=AVBRMKWCAQKSHV-UHFFFAOYSA-M
InChI=1S/C13H29ClNO.ClH/c1-4-5-6-7-8-9-10-15(2,3)12-13(16)11-14;/h13,16H,4-12H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H28ClNO
Molecular Weight 249.821
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:06:30 UTC 2023
Edited
by admin
on Sat Dec 16 14:06:30 UTC 2023
Record UNII
Q431WFI922
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-CHLORO-2-HYDROXYPROPYL)-CAPRYLYL-DIMETHYLAZANIUM CHLORIDE
Systematic Name English
1-OCTANAMINIUM, N-(3-CHLORO-2-HYDROXYPROPYL)-N,N-DIMETHYL-, CHLORIDE (1:1)
Systematic Name English
(3-CHLORO-2-HYDROXYPROPYL)-OCTYL-DIMETHYLAZANIUM CHLORIDE
Systematic Name English
N-(3-CHLORO-2-HYDROXYPROPYL)-N,N-DIMETHYLOCTYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
14727209
Created by admin on Sat Dec 16 14:06:31 UTC 2023 , Edited by admin on Sat Dec 16 14:06:31 UTC 2023
PRIMARY
FDA UNII
Q431WFI922
Created by admin on Sat Dec 16 14:06:31 UTC 2023 , Edited by admin on Sat Dec 16 14:06:31 UTC 2023
PRIMARY
CAS
106926-46-9
Created by admin on Sat Dec 16 14:06:31 UTC 2023 , Edited by admin on Sat Dec 16 14:06:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID40563386
Created by admin on Sat Dec 16 14:06:31 UTC 2023 , Edited by admin on Sat Dec 16 14:06:31 UTC 2023
PRIMARY