HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Ethyldimethyl-oleylammonium bromide

HCID 6433482
NotesReactions
Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
6458-13-5
Standard SMILES
CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)CC.[Br-]
InChIKey
BFDFJIJWIIIZJB-IERUDJENSA-M
Molecular formula
C22H46BrN
Average molar mass
404.5 g/mol
Monoisotopic mass
403.28136

Overview

See other relationships...

Names & identifiers

Preferred name
Ethyldimethyl-oleylammonium bromide
IUPAC
ethyl-dimethyl-[(E)-octadec-9-enyl]azanium bromide

Names & synonyms

Ethyl dimethyl oleyl ammonium bromideEthyldimethyl-oleylammonium bromideEINECS 229-265-2Dimethylethyl(9-octadecenyl)ammonium bromideEthyldimethyl(9-octadecenyl)ammonium bromide9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromideSCHEMBL5934007AMMONIUM, DIMETHYLETHYL(9-OCTADECENYL)-, BROMIDE

Database identifiers

CAS
6458-13-5
PubChem CID
6433482

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
17
Heavy atoms
24
Formal charge
0
Complexity
255

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes