Tetraheptylammonium bromide

Catalog	DGS4368518
CAS	4368-51-8
Description	Tetraheptylammonium bromide is a quaternary ammonium compound (QAC) mainly used as a phase-transfer agent.
Synonyms	Tetra-n-heptylammoniumbromide
IUPAC Name	tetraheptylazanium;bromide
Molecular Weight	490.69
Molecular Formula	C28H60BrN
Canonical SMILES	CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
InChI	InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
InChI Key	YQIVQBMEBZGFBY-UHFFFAOYSA-M
Melting Point	89 - 91°C
Flash Point	Not applicable
Purity	≥99.00%
Solubility	soluble in Methanol
Appearance	White/ off white flakes or crystals
Application	Tetraheptylammonium Bromide is a catalyst in organic polymer synthesis involving redox-active crystals of polymetalate. Reagent used in the preparation of ionic liquids as novel quartz collectors.
Storage	Ambient
Complexity	237
EC Number	224-459-3
Exact Mass	489.39091
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
MDL Number	MFCD00011861
Monoisotopic Mass	489.39091
Rotatable Bond Count	24
Storage Conditions	Room temperature
Topological Polar Surface Area	0 Ų