Methyl 2- (4- Aminophenyl) - 2- methylpropanoate - CAS 54815-23-5

Catalog:	BB056525
Product Name:	Methyl 2- (4- Aminophenyl) - 2- methylpropanoate
CAS:	54815-23-5
Synonyms:	2-(4-Aminophenyl)-2-methylpropanoic Acid Methyl Ester;2-(4-Aminophenyl)-2-methylpropionic Acid Methyl Ester;Methyl 2-(4-aminophenyl)-2-methylpropanoate

Technical Data

IUPAC Name:	methyl 2-(4-aminophenyl)-2-methylpropanoate
Description:	Methyl 2- (4- Aminophenyl) - 2- methylpropanoate can be used as reactant/reagent in preparation of amide compounds having RORyt inhibitory effect.
Molecular Weight:	193.24
Molecular Formula:	C11H15NO2
Canonical SMILES:	CC(C)(C1=CC=C(C=C1)N)C(=O)OC
InChI:	InChI=1S/C11H15NO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3
InChI Key:	VQEFHQYENHWZHN-UHFFFAOYSA-N
References:	Takiyama, K., et al. PCT Int. Appl., WO 2017010399 A1 20170119 (2017).

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.110278721
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2