Didecyldimethylammonium

HCID 16958
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Basic information

CAS
20256-56-8
Standard SMILES
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIKey
JGFDZZLUDWMUQH-UHFFFAOYSA-N
Molecular formula
C22H48N+
Average molar mass
326.6 g/mol
Monoisotopic mass
326.37867554

Names & identifiers

Preferred name
Didecyldimethylammonium
IUPAC
didecyl(dimethyl)azanium
English name
Didecyldimethylammonium
Molecular formula
C22H48N+
Molecular weight
326.62322

Names & synonyms

DidecyldimethylammoniumDidecyldimonium20256-56-8Ammonium, didecyldimethyl-Didecyldimethylammonium ionZ7F472XQPADidecyldimethylammonium cation1-Decanaminium, N-decyl-N,N-dimethyl-bis(decyl)dimethylazaniumMilia Remover TreatmentRefChem:55013didecyl(dimethyl)azanium
Show more names
DidecyldimethylaminiumDimethyldidecylammoniumDimethyldidecyalaminiumN-Decyl-N,N-dimethyl-1-decanaminium
DIDECYL-DIMETHYL-AMMONIUMDECIQUAM 22210AN-decyl-N,N-dimethyldecan-1-aminiumDIDECYLDIMETHYLAMMONIUMCHLORIDENCGC00166066-01UNII-Z7F472XQPADIDECYLDIMONIUM ION

Database identifiers

CAS
20256-56-8
PubChem CID
16958
DTXSID
DTXSID0048004
ChEMBL
CHEMBL1182247
ChEBI
CHEBI:193591
UNII
Z7F472XQPA
Nikkaji
J221.617E

Properties

Computed structural properties

XLogP
9.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
18
Heavy atoms
23

Experimental & physicochemical properties

Collision Cross Section208.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9032537]；209.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9032537]

Physicochemical properties

FDA UNII
7 F472XQPA · Z7F472XQPA

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Chemistry & industry

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): >1000；Consumption (g per capita; approx.) in Germany (2009): 0.0122；Excretion rate: 1；Calculated removal (%): 100

Suppliers1 total

CHEMICAL LAND21[email protected]

Additional notes

DefinitionChEBI: Didecyldimethylammonium is a quaternary ammonium salt.

Related reactions

12 records
New reaction record

Compound notes

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