Synonyms
Trioctylmonomethylammonium chloride; CTK3J1101; CAS-5137-55-3; NSC-61369; Tri-n-octylmethylammonium Chloride; A828561; METHYL-TRIOCTYL-AZANIUM CHLORIDE; Adogen 464; trioctylmethyl ammonium chloride; I14-19403;
IUPAC Name
methyl(trioctyl)azanium;chloride;
Molecular Weight
404.164g/mol
Molecular Formula
C25H54ClN;
Canonical SMILES
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-];
InChI
InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1;
InChI Key
XKBGEWXEAPTVCK-UHFFFAOYSA-M;
Storage
Store below +30°C.
Complexity
220
Covalently-Bonded Unit Count
2
EC Number
225-896-2
Exact Mass
403.394g/mol
H-Bond Acceptor
1
Heavy Atom Count
27
Monoisotopic Mass
403.394g/mol
NSC Number
61369
Rotatable Bond Count
21
Topological Polar Surface Area
0A^2
UNII
07Q8S2MJ6A
