4-Acetamidophenyl Glycidyl Ether - CAS 6597-75-7

Catalog:	BB075560
Product Name:	4-Acetamidophenyl Glycidyl Ether
CAS:	6597-75-7
Synonyms:	1-(4-Acetylaminophenoxy)-2,3-epoxypropane; 1-(p-Acetamidophenoxy)-2,3-epoxypropane; 2,3-Epoxy-1-(4-acetamidophenoxy)propane; 3-(4-Acetamidophenoxy)-1,2-epoxypropane; 4'-(2,3-Epoxypropoxy)acetanilide; Glycidyl 4-acetamidophenyl ether; N-[4-(Oxiranylmethoxy)phenyl]acetamide; [(4-Acetamidophenoxy)methyl]oxirane

Technical Data

IUPAC Name:	N-[4-(oxiran-2-ylmethoxy)phenyl]acetamide
Description:	4-Acetamidophenyl Glycidyl Ether is an intermediate in the preparation of cardioselective b-adrenergic receptor antagonists.
Molecular Weight:	207.23
Molecular Formula:	C11H13NO3
Canonical SMILES:	CC(=O)NC1=CC=C(C=C1)OCC2CO2
InChI:	InChI=1S/C11H13NO3/c1-8(13)12-9-2-4-10(5-3-9)14-6-11-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChI Key:	OQAKYHCGYGLHAZ-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance:	White Powder
References:	Jones, G. et al. J. Pharm. Sci., 81, 397, (1992); Agrawal, A. et al. J. Pharm. Sci., 66, 887, (1977).

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.08954328
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.08954328
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9