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
Storage
Ambient
Complexity
237
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
EC Number
224-459-3
Exact Mass
489.39091
Formal Charge
0
H-Bond Acceptor
1
Heavy Atom Count
30
Isomeric SMILES
CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
MDL Number
MFCD00011861
Monoisotopic Mass
489.39091
Physical State
Flakes
Refractive Index
n20/D 1.439
Rotatable Bond Count
24
Topological Polar Surface Area
0 Ų
