3-[[2-(Dimethylamino)ethyl]oxy]aniline Dihydrochloride - CAS 941319-37-5

Catalog:	BB068290
Product Name:	3-[[2-(Dimethylamino)ethyl]oxy]aniline Dihydrochloride
CAS:	941319-37-5
Synonyms:	[3-[[2-(Dimethylamino)ethyl]oxy]phenyl]amine Dihydrochloride

Technical Data

IUPAC Name:	3-[2-(dimethylamino)ethoxy]anilinedihydrochloride
Description:	3-[[2-(Dimethylamino)ethyl]oxy]aniline Dihydrochloride is used in the preparation of thiazole and oxazole kinase inhibitors for cancer treatment. It is also used in the preparation of imidazopyridines as inhibitors of IGF- 1R and IR and one or both of EGFR and ErbB2 kinases for treating neoplasm.
Molecular Weight:	180.25 + 2(36.46)
Molecular Formula:	C10H16N2O·2HCl
Canonical SMILES:	CN(C)CCOC1=CC=CC(=C1)N.Cl.Cl
InChI:	InChI=1S/C10H16N2O.2ClH/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7,11H2,1-2H32*1H
InChI Key:	UWUWTAXZZBMJDS-UHFFFAOYSA-N
References:	Adjabeng, G., et. al. PCT Int. Appl., 301 pp. (2009); Kuntz, K., et. al. U.S. Pat. Appl. Publ., 249 pp. (2008).

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.0796186
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	252.0796186
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0