Quantacure ABQ - CAS 125850-75-1

Catalog:	BB057886
Product Name:	Quantacure ABQ
CAS:	125850-75-1
Synonyms:	2-Acryloyloxy-N-[4-benzoylbenzyl]-N,N-dimethylethanaminium Bromide;2-Acryloyloxyethyl-4-benzoylbenzyldimethylammonium Bromide; ABQ; Kayacure ABQ

Technical Data

IUPAC Name:	(4-benzoylphenyl)methyl-dimethyl-(2-prop-2-enoyloxyethyl)azaniumbromide
Description:	Quantacure ABQ is a water soluble, copolymerizable benzophenone photoinitiator used in the UV curing of coatings used in textile and furniture industries.
Molecular Weight:	418.32
Molecular Formula:	C21H24BrNO3
Canonical SMILES:	C[N+](C)(CCOC(=O)C=C)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Br-]
InChI:	InChI=1S/C21H24NO3.BrH/c1-4-20(23)25-15-14-22(2,3)16-17-10-12-19(13-11-17)21(24)18-8-6-5-7-9-18/h4-13H,1,14-16H2,2-3H31H/q+1/p-1
InChI Key:	JKXUAKAQFISCCT-UHFFFAOYSA-M
References:	Green, P. et al. Polym. Paint. Colour J., 180, 42 (1990).

Complexity:	458
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	417.09396
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	417.09396
Rotatable Bond Count:	9
Topological Polar Surface Area:	43.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0