6-Hydroxy-N,N,N-trimethylhexan-1-aminium Bromide - CAS 118843-18-8

Catalog:	BB060844
Product Name:	6-Hydroxy-N,N,N-trimethylhexan-1-aminium Bromide
CAS:	118843-18-8
Synonyms:	Hydroxyquat; 6-Hydroxyhexyl(trimethyl)azanium; bromide; 6-Hydroxy-N,N,N-trimethylhexan-1-aminium Bromide; 6-hydroxy-N,N,N-trimethyl-,bromide

Technical Data

IUPAC Name:	6-hydroxyhexyl(trimethyl)azaniumbromide
Description:	6-Hydroxy-N,N,N-trimethylhexan-1-aminium Bromide has been used as a reactant in the alkylation of hydrophobic vitamin B12 derivatives.
Molecular Weight:	240.18
Molecular Formula:	C9H22BrNO
Canonical SMILES:	C[N+](C)(C)CCCCCCO.[Br-]
InChI:	InChI=1S/C9H22NO.BrH/c1-10(2,3)8-6-4-5-7-9-11/h11H,4-9H2,1-3H31H/q+1/p-1
InChI Key:	HUCAMSNMGAEXCX-UHFFFAOYSA-M
References:	Murakami, Y., et. al. J. Chem. Soc., 7, 1237 (1988).

Complexity:	86.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.08848
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.08848
Rotatable Bond Count:	6
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0