2-(4-Phenoxyphenoxy)ethanamine - CAS 72490-14-3

Catalog:	BB058274
Product Name:	2-(4-Phenoxyphenoxy)ethanamine
CAS:	72490-14-3
Synonyms:	1-(2-Aminoethoxy)-4-phenoxybenzene;2-(4-Phenoxyphenoxy)ethylamine

Technical Data

IUPAC Name:	2-(4-phenoxyphenoxy)ethanamine
Description:	2-(4-Phenoxyphenoxy)ethanamine is an intermediate in the synthesis of Fenoxycarb-d3 (F248871), a labelled form of Fenoxycarb (F248870). Fenoxycarb is a carbamate insect growth regulator by preventing immature insects from reaching maturity by mimicking juvenile hormone. Used as a standard for Pesticide detection. Fenoxycarb is also used in cannabis testing kits as a component of pesticide mixes (P698235).
Molecular Weight:	229.27
Molecular Formula:	C14H15NO2
Canonical SMILES:	C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCN
InChI:	InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChI Key:	FBLANPWAVFBRNS-UHFFFAOYSA-N
Solubility:	Basic Aqueous Solution
Appearance:	grey solid
References:	El-Saeid, M.H., et al. J. Chem., 10, (2013); Coors, A., et al. Environ. Toxicol. Chem., 31, 1239 (2012).

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.110278721
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.110278721
Rotatable Bond Count:	5
Topological Polar Surface Area:	44.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7